 Entering Gaussian System, Link 0=g16
 Input=30_ibuprofen_conformer05_STD_M11_def2SVPD.in
 Output=30_ibuprofen_conformer05_STD_M11_def2SVPD.log
 AtFile(1): /user/pierpa/basis_sets/def2SVPD.gbs
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            D    4   1.00
                 19.240334928            0.27039082144D-01
                  5.1178995899           0.13803684743
                  1.6554278827           0.34869086403
                  0.54016355610          0.48594185717
            D    1   1.00
                  0.16211214518           .34374449689
            F    1   1.00
                  0.3450000              1.0000000
            ****
            -Ti     0
            S    6   1.00
              42961.5121850              0.39127635355D-02
               6450.9759169              0.29969820489D-01
               1467.7210915              0.14836352707
                414.20997355             0.51347285324
                134.48715840             1.0335365483
                 46.122209796            0.77854233930
            S    3   1.00
                 89.447762543           -0.28385401259
                 10.223346060            1.6772785333
                  4.1353774271           1.2411928456
            S    3   1.00
                  6.7896181452          -0.78399994518D-02
                  1.1106730691           0.25495493019D-01
                  0.47565975578          0.16061172892D-01
            S    1   1.00
                  0.65986956934D-01      1.0000000
            S    1   1.00
                  0.25210342250D-01      1.0000000
            P    5   1.00
                522.03684782             0.19754179642D-01
                122.68649489             0.14460677619
                 38.572903611            0.54669004165
                 13.672169319            1.0531647540
                  5.0118529359           0.69111213363
            P    3   1.00
                  2.4131928282           0.75803437136
                  0.93252270050          1.3036241399
                  0.35429058390          0.53638653300
            P    1   1.00
                  0.1015610              1.0000000
            P    1   1.00
                  0.35788253200D-01      1.0000000
            D    4   1.00
                 23.465125957            0.26536380115D-01
                  6.3332593832           0.13796453963
                  2.0766489946           0.35312644228
                  0.69027361954          0.48647124166
            D    1   1.00
                  0.21088738554           .33026314258
            F    1   1.00
                  0.5620000              1.0000000
            ****
            -V     0
            S    6   1.00
              47160.3760600              0.14498688908D-02
               7081.4110871              0.11106435251D-01
               1611.1621223              0.55005423585D-01
                454.72940551             0.19060252591
                147.71321208             0.38435022957
                 50.699538950            0.29095546792
            S    3   1.00
                 98.262492669           -0.10942337856
                 11.294293099            0.64539490399
                  4.5853360105           0.47117880777
            S    3   1.00
                  7.6359689588          -0.22454949054
                  1.2539836689           0.72594852764
                  0.53271935387          0.45560582748
            S    1   1.00
                  0.72246239566D-01      1.0000000
            S    1   1.00
                  0.27358087448D-01      1.0000000
            P    5   1.00
                580.55044988             0.97315110917D-02
                136.52341127             0.71531241137D-01
                 42.983958820            0.27197688414
                 15.282798763            0.52618988893
                  5.6202495154           0.34452533498
            P    3   1.00
                  2.7485386415           0.34040396496
                  1.0618550073           0.57983996120
                  0.40235518645          0.23911643083
            P    1   1.00
                  0.1112480              1.0000000
            P    1   1.00
                  0.35000888460D-01      1.0000000
            D    4   1.00
                 27.358434017            0.26641927050D-01
                  7.4540604253           0.13995311726
                  2.4633917847           0.35751066639
                  0.82480925277          0.48488354148
            D    1   1.00
                  0.25257904742           .32332844995
            F    1   1.00
                  0.8310000              1.0000000
            ****
            -Cr     0
            S    6   1.00
              51528.0863490              0.14405823106D-02
               7737.2103487              0.11036202287D-01
               1760.3748470              0.54676651806D-01
                496.87706544             0.18965038103
                161.46520598             0.38295412850
                 55.466352268            0.29090050668
            S    3   1.00
                107.54732999            -0.10932281100
                 12.408671897            0.64472599471
                  5.0423628826           0.46262712560
            S    3   1.00
                  8.5461640165          -0.22711013286
                  1.3900441221           0.73301527591
                  0.56066602876          0.44225565433
            S    1   1.00
                  0.71483705972D-01      1.0000000
            S    1   1.00
                  0.28250687604D-01      1.0000000
            P    5   1.00
                640.48536096             0.96126715203D-02
                150.69711194             0.70889834655D-01
                 47.503755296            0.27065258990
                 16.934120165            0.52437343414
                  6.2409680590           0.34107994714
            P    3   1.00
                  3.0885463206           0.33973986903
                  1.1791047769           0.57272062927
                  0.43369774432          0.24582728206
            P    1   1.00
                  0.1206750              1.0000000
            P    1   1.00
                  0.33978554488D-01      1.0000000
            D    4   1.00
                 27.559479426            0.30612488044D-01
                  7.4687020327           0.15593270944
                  2.4345903574           0.36984421276
                  0.78244754808          0.47071118077
            D    1   1.00
                  0.21995774311           .33941649889
            F    1   1.00
                  1.1470000              1.0000000
            ****
            -Mn     0
            S    6   1.00
              56137.0090370              0.14321304702D-02
               8429.2063943              0.10972509162D-01
               1917.8277233              0.54382468712D-01
                541.36230198             0.18884335129
                176.00069142             0.38198025054
                 60.500477010            0.29156772596
            S    3   1.00
                117.17282882            -0.10933661328
                 13.596973368            0.64305039431
                  5.5483996341           0.45848970584
            S    3   1.00
                  9.4662853530          -0.22538977259
                  1.5595006070           0.72307758657
                  0.65230205868          0.45300721536
            S    1   1.00
                  0.84003734475D-01      1.0000000
            S    1   1.00
                  0.31256098581D-01      1.0000000
            P    5   1.00
                706.00497535             0.95055518167D-02
                166.19728820             0.70356271142D-01
                 52.452061906            0.27005556982
                 18.746932862            0.52574344602
                  6.9282991622           0.34254033223
            P    3   1.00
                  3.4772204938           0.33994073736
                  1.3406906449           0.57203836254
                  0.50498803038          0.23847605831
            P    1   1.00
                  0.1276500              1.0000000
            P    1   1.00
                  0.36336999053D-01      1.0000000
            D    4   1.00
                 35.423264935            0.26985304111D-01
                  9.7814221451           0.14383458648
                  3.2673488767           0.36418958377
                  1.1026472189           0.48152670661
            D    1   1.00
                  0.33743205934           .31458754360
            F    1   1.00
                  1.3260000              1.0000000
            ****
            -Fe     0
            S    6   1.00
              60923.6406430              0.14302254466D-02
               9147.8893982              0.10958790038D-01
               2081.3505927              0.54332554248D-01
                587.55977067             0.18884995009
                191.09043990             0.38253069946
                 65.732730112            0.29308335984
            S    3   1.00
                127.25891928            -0.10964564925
                 14.830913010            0.64387631332
                  6.0653307408           0.45472347323
            S    3   1.00
                 10.449943710           -0.22539639952
                  1.7245228003           0.72164398156
                  0.71772177325          0.44985492922
            S    1   1.00
                  0.91449828308D-01      1.0000000
            S    1   1.00
                  0.33706691021D-01      1.0000000
            P    5   1.00
                773.43750995             0.94325735144D-02
                182.15149714             0.70029620575D-01
                 57.547272758            0.26993651996
                 20.614988935            0.52700011047
                  7.6348557890           0.34284148028
            P    3   1.00
                  3.8719327990           0.33974402988
                  1.4924724132           0.56842594005
                  0.56061284958          0.23649365839
            P    1   1.00
                  0.1349150              1.0000000
            P    1   1.00
                  0.36933633962D-01      1.0000000
            D    4   1.00
                 38.968133419            0.27879664382D-01
                 10.800067078            0.14858319982
                  3.6136457999           0.36905479496
                  1.2129967888           0.47745100883
            D    1   1.00
                  0.36524393170           .31418142304
            F    1   1.00
                  1.5980000              1.0000000
            ****
            -Co     0
            S    6   1.00
              65902.2082570              0.14284614936D-02
               9895.3896027              0.10946072783D-01
               2251.4305789              0.54285953890D-01
                635.61097084             0.18885179079
                206.78820681             0.38301634994
                 71.179242971            0.29443551266
            S    3   1.00
                137.77268040            -0.10990221736
                 16.118079243            0.64455537395
                  6.6030327710           0.45116787924
            S    3   1.00
                 11.479915788           -0.22593846910
                  1.8956426324           0.72231409008
                  0.78466232067          0.44903812296
            S    1   1.00
                  0.98425774432D-01      1.0000000
            S    1   1.00
                  0.35945741932D-01      1.0000000
            P    5   1.00
                843.64358575             0.93866097254D-02
                198.76386994             0.69880208716D-01
                 62.854963098            0.27037070345
                 22.562842280            0.52904786880
                  8.3713209127           0.34357029579
            P    3   1.00
                  4.2858719800           0.34027999036
                  1.6508041817           0.56693392384
                  0.61834231096          0.23617979783
            P    1   1.00
                  0.1413080              1.0000000
            P    1   1.00
                  0.37744197011D-01      1.0000000
            D    4   1.00
                 42.927867612            0.28487788365D-01
                 11.942533053            0.15206951283
                  4.0046495664           0.37310913999
                  1.3413193804           0.47549837676
            D    1   1.00
                  0.40015009743           .31346831424
            F    1   1.00
                  1.9030000              1.0000000
            ****
            -Ni     0
            S    6   1.00
              71074.8032110              0.14260386729D-02
              10672.0209410              0.10928236994D-01
               2428.1389007              0.54212626938D-01
                685.53595148             0.18874768902
                223.10072863             0.38324616985
                 76.842014042            0.29550637144
            S    3   1.00
                148.71122016            -0.11014443059
                 17.459154987            0.64521426988
                  7.1625280665           0.44797838103
            S    3   1.00
                 12.556137125           -0.22645403224
                  2.0735740488           0.72320959286
                  0.85382640602          0.44868026476
            S    1   1.00
                  0.10536766271          1.0000000
            S    1   1.00
                  0.38134087688D-01      1.0000000
            P    5   1.00
                916.73608662             0.93439635610D-02
                216.06139913             0.69737374902D-01
                 68.383914817            0.27073495012
                 24.593843952            0.53078301549
                  9.1392960204           0.34410229438
            P    3   1.00
                  4.7193371746           0.34076082016
                  1.8161849234           0.56580169611
                  0.67840750720          0.23616717361
            P    1   1.00
                  0.1465880              1.0000000
            P    1   1.00
                  0.38905548722D-01      1.0000000
            D    4   1.00
                 47.093832108            0.28982316948D-01
                 13.146463975            0.15494995950
                  4.4170548925           0.37633115111
                  1.4771565078           0.47365096014
            D    1   1.00
                  0.43735921792           .31247837833
            F    1   1.00
                  2.1740000              1.0000000
            ****
            -Cu     0
            S    6   1.00
              76381.3480560              0.14336079896D-02
              11468.7774990              0.10986749865D-01
               2609.4246495              0.54513652465D-01
                736.75033098             0.18990128258
                239.82419958             0.38581959211
                 82.656829252            0.29790607498
            S    3   1.00
                160.13544196            -0.11146778567
                 18.834177695            0.65349301031
                  7.7176595741           0.44770534421
            S    3   1.00
                 13.710846717           -0.22870911122
                  2.2349895670           0.73464423031
                  0.87818360069          0.43273070874
            S    1   1.00
                  0.87187458064D-01      1.0000000
            S    1   1.00
                  0.32969114665D-01      1.0000000
            P    5   1.00
                991.24075782             0.93878498798D-02
                233.69376116             0.70208282458D-01
                 74.020930927            0.27323522220
                 26.664967447            0.53580792728
                  9.9192087478           0.34575794906
            P    3   1.00
                  5.1519553926           0.34229108083
                  1.9638205828           0.56456592484
                  0.71560097037          0.24078584318
            P    1   1.00
                  0.1550650              1.0000000
            P    1   1.00
                  0.38734214974D-01      1.0000000
            D    4   1.00
                 47.335049590            0.32375547758D-01
                 13.161666077            0.16810218684
                  4.3693777244           0.38477707982
                  1.4132925109           0.46147880178
            D    1   1.00
                  0.38878001452           .32388873258
            F    1   1.00
                  2.2330000              1.0000000
            ****
            -Zn     0
            S    6   1.00
              82000.7116290              0.14210764000D-02
              12312.4717770              0.10891499487D-01
               2801.3944193              0.54057188059D-01
                790.99424302             0.18847463904
                257.56551079             0.38346549346
                 88.814933400            0.29723794197
            S    3   1.00
                171.86353716            -0.11051849523
                 20.302534785            0.64607716984
                  8.3464123068           0.44220117322
            S    3   1.00
                 14.847536940           -0.22705309278
                  2.4495029507           0.72433217935
                  0.99845821824          0.44836495592
            S    1   1.00
                  0.11891307937          1.0000000
            S    1   1.00
                  0.42297428760D-01      1.0000000
            P    5   1.00
               1071.5185372              0.92767797235D-02
                252.69712152             0.69541149434D-01
                 80.100829126            0.27156772564
                 28.903393172            0.53401355573
                 10.768899879            0.34501323446
            P    3   1.00
                  5.6446212530           0.34129600164
                  2.1678291347           0.56390521973
                  0.80540898341          0.23676109735
            P    1   1.00
                  0.1624550              1.0000000
            P    1   1.00
                  0.42022716037D-01      1.0000000
            D    4   1.00
                 56.088939191            0.29588869140D-01
                 15.751908917            0.158725714045
                  5.3115812367           0.379762291591
                  1.7737904917           0.468989591719
            D    1   1.00
                  0.51975583665           .309071490776
            F    1   1.00
                  2.6140000              1.0000000
            ****
            -Ga     0
            S    6   1.00
              87842.1262960              0.14271588798D-02
              13189.4964020              0.10938894097D-01
               3000.9482141              0.54308200127D-01
                847.38425966             0.18951055983
                276.00980642             0.38615185918
                 95.216672071            0.30051082719
            S    3   1.00
                184.00703968            -0.11124461963
                 21.827051433            0.64831322918
                  9.0026963761           0.44358383594
            S    3   1.00
                 16.033176938           -0.23014299555
                  2.6707724878           0.72946861516
                  1.1252834170           0.46214976951
            S    1   1.00
                  0.15967608829          1.0000000
            S    1   1.00
                  0.57643044753D-01      1.0000000
            S    1   1.00
                  0.31819812628D-01      1.0000000
            P    5   1.00
               1167.2665844              0.90974021307D-02
                275.38062789             0.68456273343D-01
                 87.375073070            0.26922293888
                 31.597254670            0.53507897882
                 11.824122798            0.35279062760
            P    3   1.00
                  6.2881845133           0.33938244530
                  2.5199853240           0.56871947608
                  1.0169726306           0.27717694939
            P    1   1.00
                  0.24748373604          1.0000000
            P    1   1.00
                  0.66685294163D-01      1.0000000
            D    4   1.00
                 65.354237674            0.27370146382D-01
                 18.504656747            0.15099463976
                  6.3179620632           0.37485328545
                  2.1641389426           0.47510606851
            D    1   1.00
                  0.66693092754           .29843287401
            D    1   1.00
                  0.2070000              1.0000000
            D    1   1.00
                  0.49799390975D-01      1.0000000
            ****
            -Ge     0
            S    6   1.00
              93889.8366420              0.14233976060D-02
              14097.4975280              0.10910795654D-01
               3207.5477309              0.54183705943D-01
                905.76727269             0.18922820349
                295.11014693             0.38612847001
                101.84713141             0.30164050736
            S    3   1.00
                196.56719662            -0.11118770940
                 23.405292522            0.64616007369
                  9.6839116702           0.44188904568
            S    3   1.00
                 17.269736544           -0.23027421375
                  2.8964622160           0.73017169398
                  1.2553621412           0.46197222255
            S    1   1.00
                  0.20213081492          1.0000000
            S    1   1.00
                  0.73867910982D-01      1.0000000
            S    1   1.00
                  0.43410224935D-01      1.0000000
            P    5   1.00
               1259.2085995              0.90115464252D-02
                297.15626382             0.67986841689D-01
                 94.353387522            0.26853856488
                 34.176329677            0.53659649219
                 12.816139615            0.35633514961
            P    3   1.00
                  6.8471029784           0.33900693119
                  2.7717363939           0.56809365264
                  1.1458418175           0.27246539884
            P    1   1.00
                  0.30679631536          1.0000000
            P    1   1.00
                  0.89283644115D-01      1.0000000
            D    4   1.00
                 74.782168177            0.25755860205D-01
                 21.310849759            0.14536816132
                  7.3464792363           0.37134209859
                  2.5656271395           0.48002998436
            D    1   1.00
                  0.81981773070           .28978790744
            D    1   1.00
                  0.2460000              1.0000000
            D    1   1.00
                  0.66328328796D-01      1.0000000
            ****
            -As     0
            S    6   1.00
             100146.5255400              0.14258349617D-02
              15036.8617110              0.10930176963D-01
               3421.2902833              0.54294174610D-01
                966.16965717             0.18976078153
                314.87394026             0.38775195453
                108.70823790             0.30402812040
            S    3   1.00
                209.54238950            -0.11162094204
                 25.038221139            0.64697607762
                 10.390964343            0.44223608673
            S    3   1.00
                 18.555090093           -0.22994190569
                  3.1281217449           0.73319107613
                  1.3884885073           0.45533653943
            S    1   1.00
                  0.24714362141          1.0000000
            S    1   1.00
                  0.91429428670D-01      1.0000000
            S    1   1.00
                  0.55939685220D-01      1.0000000
            P    5   1.00
               1355.6443507              0.89182507898D-02
                319.99929270             0.67454750717D-01
                101.67734092             0.26759772110
                 36.886323845            0.53776844520
                 13.861115909            0.35992570244
            P    3   1.00
                  7.4260666912           0.34036849637
                  3.0316247187           0.57030149334
                  1.2783078340           0.26606170238
            P    1   1.00
                  0.37568503356          1.0000000
            P    1   1.00
                  0.11394805454          1.0000000
            D    4   1.00
                 84.445514539            0.24518402724D-01
                 24.190416102            0.14107454677
                  8.4045015119           0.36875228915
                  2.9808970748           0.48409561362
            D    1   1.00
                  0.97909243359           .28250268781
            D    1   1.00
                  0.2930000              1.0000000
            D    1   1.00
                  0.84097628016D-01      1.0000000
            ****
            -Se     0
            S    6   1.00
             106612.2002700              0.14274889113D-02
              16007.6047010              0.10943525114D-01
               3642.1699707              0.54374171596D-01
               1028.5912993              0.19018092947
                335.30298888             0.38913021696
                115.80129154             0.30620207088
            S    3   1.00
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            ****
            -Sb     0
            S    6   1.00
                372.76139166             0.15878057239D-02
                 22.689478596           -0.15027605583
                 18.391547037            0.35915813039
                  7.6406271414          -0.74805091065
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            S    2   1.00
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            S    1   1.00
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                 10.052739237           -0.41511149340
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            P    1   1.00
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            P    1   1.00
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                 18.504059617           -0.54952972010D-02
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                  1.7142196009           0.51273377761
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            D    1   1.00
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            ****
            -Te     0
            S    6   1.00
                396.47954659             0.26307731203D-02
                 21.919773309           -0.13203517066
                 18.061271390            0.36203197834
                  8.1403463241          -0.75591120276
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            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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                 10.433943171           -0.41205302672
                  1.3623024763           0.78760578076
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 18.884095378           -0.35221408938D-02
                  4.2527304630           0.28254216065
                  1.8757557092           0.52039372916
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            D    1   1.00
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            D    1   1.00
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            ****
            -I     0
            S    6   1.00
                445.90489176             0.20037290389D-02
                 23.336842412           -0.14989397324
                 19.583446104            0.36436474913
                  8.5112089186          -0.75538138199
                  2.1996161861           0.82816359356
                  1.0668970454           0.42161048110
            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 20.499027254            0.77159335656D-01
                 10.558754576           -0.38370372780
                  1.5015895485           0.83554174719
                  0.64597173095          0.16787259488
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 51.235354920            0.40345130346D-02
                 15.616239482           -0.50768108881D-02
                  4.5266002139           0.29151065356
                  2.0529808766           0.51145783605
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            D    1   1.00
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            D    1   1.00
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            ****
            -Xe     0
            S    5   1.00
               6420.2481656              0.25092173886D-03
                983.54530664             0.16251948178D-02
                219.43881364             0.46037106451D-02
                 23.012587807           -0.14698707182
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            S    2   1.00
                 11.752550163            0.66038420156
                  6.2390917199           0.38470524721
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 13.960683826           -0.50950157807D-01
                  4.0928947097           0.36669211800
                  2.2546815460           0.72619456861
                  1.1546596184           0.35555871740
            P    3   1.00
                193.81432545             0.95394802497D-03
                 21.725228086            0.57393353332D-01
                  9.8891605641          -0.27974266640
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    6   1.00
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                 38.727062692            0.60897654151D-02
                 15.377328089           -0.92782985596D-02
                  5.2602537686           0.22890785589
                  2.6590627424           0.44434407051
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            D    1   1.00
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            ****
            -Cs     0
            S    3   1.00
                  5.8778113443           0.12859994983
                  4.3631538286          -0.34632569725
                  1.8048475155           0.69930637051
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  1.9656663360          -0.25019961976
                  0.47689195212          0.55660850066
                  0.21529749588          0.58218553406
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    1   1.00
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            D    1   1.00
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            ****
            -Ba     0
            S    3   1.00
                  2.3961900000          -5.9554766710
                  2.2433050000           6.6805648241
                  0.71740200000         -0.57055347037
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.5207180000          -1.0707548832
                  0.67578180854          0.34940781448
                  0.31985844531          0.65041110673
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.1038910              0.4732600
            D    1   1.00
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            F    4   1.00
                 10.00                   0.073
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                  1.00                   0.350
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            ****
            -La     0
            S    2   1.00
                  5.0873990000          -0.44173707857
                  4.2709780000           0.85812489720
            S    1   1.00
                  2.1823803999           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.3820950000           0.51718364643673D+00
                  0.67246658081         -0.44823115995325D+00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.89049882672          0.25137236211233D+00
                  0.32947291040          0.44604068239531D+00
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            D    1   1.00
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            ****
            -Hf     0
            S    2   1.00
                 14.592485000           -0.80196298812
                 11.547491000            1.5261602829
            S    1   1.00
                  4.9112973928           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  5.9599790000          -0.83713508620273
                  1.0921117054           0.50570506286223
                  0.49702823217          0.51965388690539
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  1.3077987772           0.18409232564002
                  0.53272310298          0.41484423515705
                  0.20564954488          0.44224303496859
            D    1   1.00
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            F    1   1.00
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            ****
            -Ta     0
            S    2   1.00
                 14.400000000            0.99343296745
                 12.000000000           -1.6510077975
            S    1   1.00
                  5.0701477302           1.0000000
            S    1   1.00
                  0.86033356487          1.0000000
            S    1   1.00
                  0.37158938894          1.0000000
            S    1   1.00
                  0.10745336254          1.0000000
            S    1   1.00
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                  5.6984100000          -0.46968874449
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                  0.54478533555          0.52298161137
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.61042908544          0.42959071631
                  0.24216276510          0.43497228231503D+00
            D    1   1.00
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            ****
            -W     0
            S    2   1.00
                 15.000000000           -0.53315505392
                 12.000000000            1.0014141748
            S    1   1.00
                  5.2610967725           1.0000000
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                  0.11585976646          1.0000000
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                  6.0848760000          -0.66720686321
                  1.2523777812           0.52090351989
                  0.58569208922          0.51885687511
            P    1   1.00
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            D    4   1.00
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                  0.69187452392          0.44121676843
                  0.27865835325          0.43158409241461D+00
            D    1   1.00
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            ****
            -Re     0
            S    2   1.00
                 14.781862000           -1.1395193885
                 12.324075000            1.9371421121
            S    1   1.00
                  5.5098597284           1.0000000
            S    1   1.00
                  0.98874104687          1.0000000
            S    1   1.00
                  0.42833312030          1.0000000
            S    1   1.00
                  0.12296804533          1.0000000
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            P    4   1.00
                  7.4040050000           0.54510937865
                  6.3502060000          -0.76096056536
                  1.3311713455           0.53252276765
                  0.62659600547          0.51483045040
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.78702048429          0.45160766937
                  0.32069843172          0.43261236265745D+00
            D    1   1.00
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                  0.4898900              1.0000000
            ****
            -Os     0
            S    2   1.00
                 15.286736000           -1.0647114485
                 12.700638000            1.8433193269
            S    1   1.00
                  5.7094832504           1.0000000
            S    1   1.00
                  1.0689228744           1.0000000
            S    1   1.00
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            S    1   1.00
                  0.13253456992          1.0000000
            S    1   1.00
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            P    4   1.00
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                  6.3036410000          -0.56379438345
                  1.4351579676           0.52360040577
                  0.68442749722          0.52445339821
            P    1   1.00
                  0.28347394974          1.0000000
            P    1   1.00
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            P    1   1.00
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            D    4   1.00
                  3.5808150000          -0.42773932262
                  3.1961650000           0.44501403992
                  1.0550226354           0.43689459722
                  0.41588406618          0.48220605798770D+00
            D    1   1.00
                  0.14653507868          1.0000000
            F    1   1.00
                  0.5506500              1.0000000
            ****
            -Ir     0
            S    2   1.00
                 15.293709000           -1.6731899791
                 13.573682000            2.3934378976
            S    1   1.00
                  5.8213436542           1.0000000
            S    1   1.00
                  1.1520364268           1.0000000
            S    1   1.00
                  0.51104895338          1.0000000
            S    1   1.00
                  0.14084043578          1.0000000
            S    1   1.00
                  0.49828673085D-01      1.0000000
            P    4   1.00
                  8.6697960000           0.21469187346391
                  6.2456140000          -0.44863071815131
                  1.5657036153           0.50653393256771
                  0.75577412863          0.54052273352337
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.3617430000           0.56835425804006
                  1.1177053710           0.44304381513032
                  0.44322534858          0.47078394930144
            D    1   1.00
                  0.15641305125          1.0000000
            F    1   1.00
                  0.6100800              1.0000000
            ****
            -Pt     0
            S    2   1.00
                 16.559563000           -0.53808800717
                 13.892440000            0.91402161377
            S    1   1.00
                  5.8531044732           1.0000000
            S    1   1.00
                  1.2498640609           1.0000000
            S    1   1.00
                  0.55606439459          1.0000000
            S    1   1.00
                  0.13793093812          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.2000000000          -0.95441807252
                  1.5588402917           0.57140490320
                  0.73230402180          0.49508234268
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.93629991261          0.46533857641
                  0.37160028160          0.41129165525
            D    1   1.00
                  0.13155928617          1.0000000
            F    1   1.00
                  0.6681300              1.0000000
            ****
            -Au     0
            S    2   1.00
                 20.115299000           -0.15910719389
                 12.193477000            0.79105526778
            S    1   1.00
                  6.0735294368           1.0000000
            S    1   1.00
                  1.3174451569           1.0000000
            S    1   1.00
                  0.58596768244          1.0000000
            S    1   1.00
                  0.13875427354          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.3353260000          -0.72681584494
                  1.6575296365           0.57315511417
                  0.78159310216          0.49579068859
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.5682570000           0.40197233762
                  1.2345757130           0.46001988624
                  0.48190232338          0.46152130957882D+00
            D    1   1.00
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            F    1   1.00
                  0.7248200              1.0000000
            ****
            -Hg     0
            S    2   1.00
                 26.842049000           -0.26845096483D-01
                 10.320909000            0.81771278143
            S    1   1.00
                  6.3656242291           1.0000000
            S    1   1.00
                  1.3898932095           1.0000000
            S    1   1.00
                  0.63706742699          1.0000000
            S    1   1.00
                  0.16047725098          1.0000000
            S    1   1.00
                  0.56410423453D-01      1.0000000
            P    4   1.00
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                  7.1690950000          -0.44026342153
                  1.7559567931           0.58406314464
                  0.83145670425          0.49359746203
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.4800000000           0.37748470203231
                  1.2535869926           0.48342275878173
                  0.50841366863          0.43493523158359
            D    1   1.00
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            F    1   1.00
                  0.7956900              1.0000000
            ****
            -Tl     0
            S    6   1.00
                 45.356924655            0.50938157397D-02
                 20.278843336           -0.14805704314
                 14.420612394            0.36768453564
                  6.2161909754          -0.66820394623
                  1.5002511178           0.96232806743
                  0.76330879305          0.33175999361
            S    2   1.00
                  7.8193195283          -0.18828631537D-01
                  1.3176904042           0.32093431467
            S    1   1.00
                  0.17643545481          1.0000000
            S    1   1.00
                  0.65296835238D-01      1.0000000
            S    1   1.00
                  0.24592841139D-01      1.0000000
            P    4   1.00
                  9.0323058024           0.22738839085
                  7.5356419671          -0.35117975889
                  1.0521421998           0.25690085604
                  0.50303932656          0.84549942764D-01
            P    1   1.00
                  2.0067660913           1.0000000
            P    1   1.00
                  0.16675605056          1.0000000
            P    1   1.00
                  0.48596401464D-01      1.0000000
            D    5   1.00
                  9.4421940760           0.58250776986D-01
                  7.4410003381          -0.11789199301
                  1.9831617772           0.34232057636
                  0.91671748567          0.47557282350
                  0.39647207885          0.30528029435
            D    1   1.00
                  0.15500000000          1.0000000
            D    1   1.00
                  0.39237960293D-01      1.0000000
            ****
            -Pb     0
            S    6   1.00
                 55.727520333            0.29681153058D-02
                 20.302912827           -0.14352634362
                 14.558628750            0.37554188507
                  6.5370530973          -0.67253099800
                  1.5933900686           0.95887533909
                  0.83051419711          0.32593632538
            S    2   1.00
                  8.0719473648          -0.20412061217D-01
                  1.4165737490           0.32865829049
            S    1   1.00
                  0.20418933370          1.0000000
            S    1   1.00
                  0.77159007761D-01      1.0000000
            S    1   1.00
                  0.33059793391D-01      1.0000000
            P    4   1.00
                  9.5531412199           0.20542943990
                  7.5327685129          -0.36407590058
                  1.1185539567           0.32217481686
                  0.53739855255          0.96677743015D-01
            P    1   1.00
                  2.1359869828           1.0000000
            P    1   1.00
                  0.20027494801          1.0000000
            P    1   1.00
                  0.63408011513D-01      1.0000000
            D    5   1.00
                 13.494505735            0.11571042371D-01
                  7.0609770411          -0.66746645076D-01
                  2.1581835375           0.33978760942
                  1.0148541418           0.48523039273
                  0.44632672920          0.29682924018
            D    1   1.00
                  0.17500000000          1.0000000
            D    1   1.00
                  0.50585085346D-01      1.0000000
            ****
            -Bi     0
            S    6   1.00
                175.19632102             0.80278879028D-03
                 19.820147783           -0.14624461250
                 14.960110102            0.37435719885
                  6.7065785571          -0.68476017748
                  1.7391967524           0.90967322081
                  0.94504730591          0.38695797807
            S    2   1.00
                  8.4636832909          -0.20037183144D-01
                  1.5317838545           0.31054408682
            S    1   1.00
                  0.23405391503          1.0000000
            S    1   1.00
                  0.90268814613D-01      1.0000000
            S    1   1.00
                  0.41577775054D-01      1.0000000
            P    4   1.00
                 10.672046293            0.14391258793
                  7.1992185915          -0.37994608603
                  1.5359697528           0.53268032065
                  0.72201275727          0.23037698678
            P    1   1.00
                  2.8508661858           1.0000000
            P    1   1.00
                  0.23769418731          1.0000000
            P    1   1.00
                  0.78768140453D-01      1.0000000
            D    5   1.00
                 15.834273510            0.85062993231D-02
                  7.0956896087          -0.65954380016D-01
                  2.3363137007           0.33707163406
                  1.1208861366           0.49128719933
                  0.50309487376          0.29095930644
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.62256480090D-01      1.0000000
            ****
            -Po     0
            S    6   1.00
                278.13783916             0.91690497839D-03
                 19.659291105           -0.14713009283
                 15.016229647            0.38790413631
                  7.1149978720          -0.67059966298
                  1.7879214122           0.91212928327
                  0.94021655206          0.29153755200
            S    2   1.00
                  8.7584161749          -0.21561417525D-01
                  1.6503945866           0.31638990001
            S    1   1.00
                  0.26329582133          1.0000000
            S    1   1.00
                  0.10190654304          1.0000000
            S    1   1.00
                  0.36854928339D-01      1.0000000
            P    4   1.00
                 10.445945973            0.23631841405
                  8.0293101888          -0.45017818996
                  1.3588798023           0.44160334658
                  0.66829182929          0.14575285544
            P    1   1.00
                  2.4460635387           1.0000000
            P    1   1.00
                  0.27242942777          1.0000000
            P    1   1.00
                  0.88796031338D-01      1.0000000
            P    1   1.00
                  0.24278917089D-01      1.0000000
            D    5   1.00
                 18.292670150            0.72030963652D-02
                  7.1695578539          -0.66160544754D-01
                  2.5029225180           0.34363449378
                  1.2115945443           0.50529101033
                  0.54713334240          0.28301155453
            D    1   1.00
                  0.21500000000          1.0000000
            D    1   1.00
                  0.60680939679D-01      1.0000000
            ****
            -At     0
            S    6   1.00
                303.23376176             0.63504969788D-03
                 20.289449240           -0.13823165350
                 15.383783126            0.38333193283
                  7.4702184232          -0.66837560338
                  1.8731608346           0.91545877992
                  0.97426847543          0.25559567998
            S    2   1.00
                  8.9610112498          -0.23092977605D-01
                  1.7804284294           0.31690635939
            S    1   1.00
                  0.29269461143          1.0000000
            S    1   1.00
                  0.11395353119          1.0000000
            S    1   1.00
                  0.42558321816D-01      1.0000000
            P    4   1.00
                 10.722023134            0.26194870008
                  8.4823338656          -0.46607228264
                  1.3474291294           0.42119853309
                  0.62824011467          0.10643224457
            P    1   1.00
                  2.4814896839           1.0000000
            P    1   1.00
                  0.31036518470          1.0000000
            P    1   1.00
                  0.10144862043          1.0000000
            P    1   1.00
                  0.26996558228D-01      1.0000000
            D    5   1.00
                 20.799819604            0.65227965381D-02
                  7.1664616770          -0.67780885217D-01
                  2.6934397048           0.33954991335
                  1.3175112423           0.50899559178
                  0.59997066293          0.27526771759
            D    1   1.00
                  0.23500000000          1.0000000
            D    1   1.00
                  0.67929272623D-01      1.0000000
            ****
            -Rn     0
            S    5   1.00
               5187.7442468              0.16097034848D-03
                768.14491207             0.10508214789D-02
                159.35182065             0.27375438093D-02
                 21.863432724           -0.55045904905
                 18.388689978            0.78321373922
            S    2   1.00
                 24.816226448           -0.82636797204D-01
                  7.2923301677           1.0926256000
            S    1   1.00
                  2.0850437166           1.0000000
            S    1   1.00
                  1.0915245945           1.0000000
            S    1   1.00
                  0.34915708428          1.0000000
            S    1   1.00
                  0.13648422952          1.0000000
            S    1   1.00
                  0.46837581728D-01      1.0000000
            P    4   1.00
                  9.0845000304          -0.23093917426
                  6.2631489717           0.39747614192
                  2.2545193734           0.83026693838
                  1.1180666918           0.51467013112
            P    3   1.00
                194.68918723             0.26265814046D-03
                 11.210013525            0.19952302621
                  7.5298316489          -0.45994479561
            P    1   1.00
                  0.47444492594          1.0000000
            P    1   1.00
                  0.20172354616          1.0000000
            P    1   1.00
                  0.79503144392D-01      1.0000000
            P    1   1.00
                  0.22264519316D-01      1.0000000
            D    6   1.00
                 75.302723665            0.73590238429D-03
                 17.965913830            0.89490827389D-02
                  7.3741298033          -0.76641663693D-01
                  3.2296258578           0.22975404602
                  1.7937840508           0.43991495311
                  0.94633319732          0.35259395198
            D    1   1.00
                  0.46860482223          1.0000000
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.68815941916D-01      1.0000000
            F    1   1.00
                  2.1000000              1.0000000
            F    1   1.00
                  0.4180600              1.0000000
            ****
            
            -RB     0
            RB-ECP     3     28
            f potential
              1
            2      3.8431140            -12.3169000
            s-f potential
              3
            2      5.0365510             89.5001980
            2      1.9708490              0.4937610
            2      3.8431140             12.3169000
            p-f potential
              3
            2      4.2583410             58.5689740
            2      1.4707090              0.4317910
            2      3.8431140             12.3169000
            d-f potential
              3
            2      3.0231270             26.2248980
            2      0.6503830              0.9628390
            2      3.8431140             12.3169000
            -SR     0
            SR-ECP     3     28
            f potential
              1
            2      4.6339750            -15.8059920
            s-f potential
              3
            2      7.4000740            135.4794300
            2      3.6063790             17.5344630
            2      4.6339750             15.8059920
            p-f potential
              3
            2      6.4848680             88.3597090
            2      3.2880530             15.3943720
            2      4.6339750             15.8059920
            d-f potential
              3
            2      4.6228410             29.8889870
            2      2.2469040              6.6594140
            2      4.6339750             15.8059920
            -Y     0
            Y-ECP     3     28
            f potential
              2
            2      6.5842120            -19.12219811
            2      3.2921060             -2.43637543
            s-f potential
              4
            2      7.4880494            135.15384412
            2      3.7440247             15.55244130
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            p-f potential
              4
            2      6.4453772             87.78499167
            2      3.2226886             11.56406599
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            d-f potential
              4
            2      4.6584472             29.70100072
            2      2.3292236              5.53996847
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            -ZR     0
            ZR-ECP     3     28
            f potential
              2
            2      7.5400000            -21.09377605
            2      3.7700000             -3.08069427
            s-f potential
              4
            2      8.2000000            150.26759106
            2      4.0897278             18.97621650
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            p-f potential
              4
            2      7.1100000             99.62212372
            2      3.5967980             14.16873329
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            d-f potential
              4
            2      5.3500000             35.04512355
            2      2.4918215              6.11125948
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            -NB     0
            NB-ECP     3     28
            f potential
              2
            2      8.4900000            -22.92954996
            2      4.2500000             -3.66630986
            s-f potential
              4
            2      8.9000000            165.17914349
            2      4.4300000             21.99297437
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            p-f potential
              4
            2      7.7700000            111.79441445
            2      3.9600000             16.63348326
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            d-f potential
              4
            2      6.0500000             38.11224880
            2      2.8400000              8.03916727
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            -MO     0
            MO-ECP     3     28
            f potential
              2
            2      9.4500000            -24.80517707
            2      4.7200000             -4.15378155
            s-f potential
              4
            2      9.7145938            180.10310850
            2      4.6805004             24.99722791
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            p-f potential
              4
            2      8.1421366            123.77275231
            2      4.6259863             19.53022800
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            d-f potential
              4
            2      6.6184148             48.37502229
            2      3.2487516              8.89205274
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            -TC     0
            TC-ECP     3     28
            f potential
              2
            2     10.4000000            -26.56244747
            2      5.2000000             -4.58568054
            s-f potential
              4
            2     10.4223462            195.15916591
            2      5.0365160             28.09260333
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            p-f potential
              4
            2      8.9504494            135.28456622
            2      4.8544394             21.80650430
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            d-f potential
              4
            2      6.9456968             54.32972942
            2      3.9705849             11.15506795
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            -RU     0
            RU-ECP     3     28
            f potential
              2
            2     11.3600000            -28.34061627
            2      5.6800000             -4.94462923
            s-f potential
              4
            2     11.1052693            209.82297122
            2      5.4147454             30.65472642
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            p-f potential
              4
            2      9.7712707            146.33618228
            2      5.0739908             24.12787723
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            d-f potential
              4
            2      7.6714231             67.51589667
            2      4.1365647              9.87010415
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            -RH     0
            RH-ECP     3     28
            f potential
              2
            2     12.3100000            -30.09345572
            2      6.1600000             -5.21848192
            s-f potential
              4
            2     11.7200000            225.34775353
            2      5.8200000             32.82318898
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            p-f potential
              4
            2     10.4200000            158.70941159
            2      5.4500000             26.44410049
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            d-f potential
              4
            2      8.8200000             62.75862572
            2      3.8700000             10.97871947
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            -PD     0
            PD-ECP     3     28
            f potential
              2
            2     13.2700000            -31.92955431
            2      6.6300000             -5.39821694
            s-f potential
              4
            2     12.4300000            240.22904033
            2      6.1707594             35.17194347
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            p-f potential
              4
            2     11.0800000            170.41727605
            2      5.8295541             28.47213287
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            d-f potential
              4
            2      9.5100000             69.01384488
            2      4.1397811             11.75086158
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            -AG     0
            AG-ECP     3     28
            f potential
              2
            2     14.2200000            -33.68992012
            2      7.1100000             -5.53112021
            s-f potential
              4
            2     13.1300000            255.13936452
            2      6.5100000             36.86612154
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            p-f potential
              4
            2     11.7400000            182.18186871
            2      6.2000000             30.35775148
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            d-f potential
              4
            2     10.2100000             73.71926087
            2      4.3800000             12.50211712
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            -CD     0
            CD-ECP     3     28
            f potential
              2
            2     15.1847957            -35.47662555
            2      7.5923978             -5.61767685
            s-f potential
              4
            2     13.8358689            270.00948324
            2      6.8572704             38.76730798
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            p-f potential
              4
            2     12.4049710            193.82962939
            2      6.5677995             31.89652523
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            d-f potential
              4
            2     10.8969253             79.19364700
            2      4.6411649             13.23082674
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            -IN     0
            IN-ECP     3     28
            f potential
              2
            2     12.53905600           -13.72807800
            2     12.55256100           -18.20686600
            s-f potential
              4
            2     15.39282200           281.12235000
            2      8.05586400            61.90147000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            p-f potential
              6
            2     13.92867200            67.46215400
            2     13.34723400           134.94925000
            2      7.61413200            14.74614000
            2      7.31836500            29.63926200
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            d-f potential
              6
            2     14.03471500            35.49325400
            2     14.51161600            53.17877300
            2      5.55055000             9.17728100
            2      5.05941500            12.39241000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            -SN     0
            SN-ECP     3     28
            f potential
              2
            2     12.28234800           -12.57633300
            2     12.27215000           -16.59594400
            s-f potential
              4
            2     17.42041400           279.98868200
            2      7.63115500            62.37781000
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            p-f potential
              6
            2     16.13102400            66.16252300
            2     15.62807700           132.17439600
            2      7.32560800            16.33941700
            2      6.94251900            32.48895900
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            d-f potential
              6
            2     15.51497600            36.38744100
            2     15.18816000            54.50784100
            2      5.45602400             8.69682300
            2      5.36310500            12.84020800
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            -SB     0
            SB-ECP     3     28
            f potential
              2
            2     14.44497800           -15.36680100
            2     14.44929500           -20.29613800
            s-f potential
              4
            2     16.33086500           281.07158100
            2      8.55654200            61.71660400
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            p-f potential
              6
            2     14.47033700            67.45738000
            2     13.81619400           134.93350300
            2      8.42492400            14.71634400
            2      8.09272800            29.51851200
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            d-f potential
              6
            2     14.88633100            35.44781500
            2     15.14631900            53.14346600
            2      5.90826700             9.17922300
            2      5.59432200            13.24025300
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            -TE     0
            TE-ECP     3     28
            f potential
              2
            2     15.20616800           -15.74545000
            2     15.20170200           -20.74244800
            s-f potential
              4
            2     16.81447300           281.04584300
            2      8.79352600            61.62065600
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            p-f potential
              6
            2     14.87780100            67.44946400
            2     14.26973100           134.90430400
            2      8.72443500            14.68954700
            2      8.29151500            29.41506300
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            d-f potential
              6
            2     15.20500800            35.43205700
            2     15.22584800            53.13568700
            2      6.07176900             9.06980200
            2      5.80476000            13.12230400
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            -I     0
            I-ECP     3     28
            f potential
              4
            2     19.45860900           -21.84204000
            2     19.34926000           -28.46819100
            2      4.82376700            -0.24371300
            2      4.88431500            -0.32080400
            s-f potential
              7
            2     40.01583500            49.99429300
            2     17.42974700           281.02531700
            2      9.00548400            61.57332600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            p-f potential
              8
            2     15.35546600            67.44284100
            2     14.97183300           134.88113700
            2      8.96016400            14.67505100
            2      8.25909600            29.37566600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            d-f potential
              10
            2     15.06890800            35.43952900
            2     14.55532200            53.17605700
            2      6.71864700             9.06719500
            2      6.45639300            13.20693700
            2      1.19177900             0.08933500
            2      1.29115700             0.05238000
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            -XE     0
            XE-ECP     3     28
            f potential
              4
            2     20.88155700           -23.08929500
            2     20.78344300           -30.07447500
            2      5.25338900            -0.28822700
            2      5.36118800            -0.38692400
            s-f potential
              7
            2     40.00518400            49.99796200
            2     17.81221400           281.01330300
            2      9.30415000            61.53825500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            p-f potential
              8
            2     15.70177200            67.43914200
            2     15.25860800           134.87471100
            2      9.29218400            14.66330000
            2      8.55900300            29.35473000
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            d-f potential
              10
            2     15.18560000            35.43690800
            2     14.28450000            53.19577200
            2      7.12188900             9.04623200
            2      6.99196300            13.22368100
            2      0.62394600             0.08485300
            2      0.64728400             0.04415500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            -CS     0
            CS-ECP     3     46
            f potential
              1
            2      3.1232690            -28.8843090
            s-f potential
              3
            2      4.0797500             84.5477300
            2      2.4174060             16.6541730
            2      3.1232690             28.8843090
            p-f potential
              3
            2      5.5140800            157.0490590
            2      2.1603160             26.4233070
            2      3.1232690             28.8843090
            d-f potential
              3
            2      1.8074100             13.1727530
            2      0.8581820              3.3428330
            2      3.1232690             28.8843090
            -BA     0
            BA-ECP     3     46
            f potential
              1
            2      3.5894650            -33.4731740
            s-f potential
              3
            2      9.5269860            427.8458160
            2      4.4875100            204.4175300
            2      3.5894650             33.4731740
            p-f potential
              3
            2      8.3159300            293.6058640
            2      4.2922170            294.1933160
            2      3.5894650             33.4731740
            d-f potential
              3
            2      5.9161080            112.5504020
            2      2.8748420            181.7826210
            2      3.5894650             33.4731740
            -LA     0
            LA-ECP     3     46
            f potential
              1
            2      4.0286000            -36.0100160
            s-f potential
              3
            2      3.3099000             91.9321770
            2      1.6550000             -3.7887640
            2      4.0286000             36.0100160
            p-f potential
              3
            2      2.8368000             63.7594860
            2      1.4184000             -0.6479580
            2      4.0286000             36.0100160
            d-f potential
              3
            2      2.0213000             36.1161730
            2      1.0107000              0.2191140
            2      4.0286000             36.0100160
            -HF     0
            HF-ECP     3     60
            f potential
              1
            2      1.78576984            10.04672251
            s-f potential
              3
            2     14.76995900          1499.28471073
            2      7.38497940            40.28210136
            2      1.78576984           -10.04672251
            p-f potential
              3
            2      9.84948950           397.73300533
            2      4.92474450            19.31640586
            2      1.78576984           -10.04672251
            d-f potential
              3
            2      6.09675640           101.32980526
            2      3.04837820             5.87343821
            2      1.78576984           -10.04672251
            -TA     0
            TA-ECP     3     60
            f potential
              1
            2      2.01788111            12.01796094
            s-f potential
              3
            2     14.54640770          1345.88064703
            2      7.27320380            36.76680620
            2      2.01788111           -12.01796094
            p-f potential
              3
            2      9.93556529           378.42530145
            2      4.96778243            22.29309086
            2      2.01788111           -12.01796094
            d-f potential
              3
            2      6.34737691           104.88395571
            2      3.17368846             8.75584805
            2      2.01788111           -12.01796094
            -W     0
            W-ECP     3     60
            f potential
              1
            2      2.25888846            14.15257947
            s-f potential
              3
            2     14.32285640          1192.39588226
            2      7.16142810            32.52293315
            2      2.25888846           -14.15257947
            p-f potential
              3
            2     10.02164110           359.03196711
            2      5.01082040            24.03038019
            2      2.25888846           -14.15257947
            d-f potential
              3
            2      6.59799743           108.30134897
            2      3.29899871            10.98252827
            2      2.25888846           -14.15257947
            -RE     0
            RE-ECP     3     60
            f potential
              1
            2      2.50865059            16.44985227
            s-f potential
              3
            2     14.09930510          1038.95157226
            2      7.04965250            29.56173830
            2      2.50865059           -16.44985227
            p-f potential
              3
            2     10.10771690           339.54350965
            2      5.05385830            24.91369646
            2      2.50865059           -16.44985227
            d-f potential
              3
            2      6.84861794           111.69965275
            2      3.42430897            12.62432927
            2      2.50865059           -16.44985227
            -OS     0
            OS-ECP     3     60
            f potential
              1
            2      2.76707510            18.90945701
            s-f potential
              3
            2     13.87575390           885.40571914
            2      6.93787690            25.96704014
            2      2.76707510           -18.90945701
            p-f potential
              3
            2     10.19379260           320.08390185
            2      5.09689620            26.14876493
            2      2.76707510           -18.90945701
            d-f potential
              3
            2      7.09923846           115.04484313
            2      3.54961923            13.62257457
            2      2.76707510           -18.90945701
            -IR     0
            IR-ECP     3     60
            f potential
              1
            2      3.03407192            21.53103107
            s-f potential
              3
            2     13.65220260           732.26919978
            2      6.82610130            26.48472087
            2      3.03407192           -21.53103107
            p-f potential
              3
            2     10.27986840           299.48947357
            2      5.13993410            26.46623354
            2      3.03407192           -21.53103107
            d-f potential
              3
            2      7.34985897           124.45759451
            2      3.67492949            14.03599518
            2      3.03407192           -21.53103107
            -PT     0
            PT-ECP     3     60
            f potential
              1
            2      3.30956857            24.31437573
            s-f potential
              3
            2     13.42865130           579.22386092
            2      6.71432560            29.66949062
            2      3.30956857           -24.31437573
            p-f potential
              3
            2     10.36594420           280.86077422
            2      5.18297210            26.74538204
            2      3.30956857           -24.31437573
            d-f potential
              3
            2      7.60047949           120.39644429
            2      3.80023974            15.81092058
            2      3.30956857           -24.31437573
            -AU     0
            AU-ECP     3     60
            f potential
              2
            2      4.78982000            30.49008890
            2      2.39491000             5.17107381
            s-f potential
              4
            2     13.20510000           426.84667920
            2      6.60255000            37.00708285
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            p-f potential
              4
            2     10.45202000           261.19958038
            2      5.22601000            26.96249604
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            d-f potential
              4
            2      7.85110000           124.79066561
            2      3.92555000            16.30072573
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            -HG     0
            HG-ECP     3     60
            f potential
              1
            2      3.88579112            30.36499643
            s-f potential
              3
            2     12.98154870           275.73721174
            2      6.49077440            49.08921249
            2      3.88579112           -30.36499643
            p-f potential
              3
            2     10.53809580           241.54007398
            2      5.26904790            27.39659081
            2      3.88579112           -30.36499643
            d-f potential
              3
            2      8.10172051           127.86700761
            2      4.05086026            16.60831151
            2      3.88579112           -30.36499643
            -TL     0
            TL-ECP     3     60
            f potential
              4
            2      5.62639900            15.82548800
            2      5.54895200            21.10402100
            2      2.87494600             2.91512700
            2      2.82145100             3.89690300
            s-f potential
              6
            2     12.16780500           281.28466300
            2      8.29490900            62.43425100
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            p-f potential
              8
            2      7.15149200             4.63340800
            2      5.17286500             9.34175600
            2      9.89107200            72.29925300
            2      9.00339100           144.55803700
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            d-f potential
              8
            2      7.13021800            35.94303900
            2      6.92690600            53.90959300
            2      5.41757000            10.38193900
            2      5.13868100            15.58382200
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            -PB     0
            PB-ECP     3     60
            f potential
              2
            2      3.88751200            12.20989200
            2      3.81196300            16.19029100
            s-f potential
              4
            2     12.29630300           281.28549900
            2      8.63263400            62.52021700
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            p-f potential
              6
            2     10.24179000            72.27689700
            2      8.92417600           144.59108300
            2      6.58134200             4.75869300
            2      6.25540300             9.94062100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            d-f potential
              6
            2      7.75433600            35.84850700
            2      7.72028100            53.72434200
            2      4.97026400            10.11525600
            2      4.56378900            14.83373100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            -BI     0
            BI-ECP     3     60
            f potential
              2
            2      4.21454600            13.71338300
            2      4.13340000            18.19430800
            s-f potential
              4
            2     13.04309000           283.26422700
            2      8.22168200            62.47195900
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            p-f potential
              6
            2     10.46777700            72.00149900
            2      9.11890100           144.00227700
            2      6.75479100             5.00794500
            2      6.25259200             9.99155000
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            d-f potential
              6
            2      8.08147400            36.39625900
            2      7.89059500            54.59766400
            2      4.95555600             9.98429400
            2      4.70455900            14.98148500
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            -PO     0
            PO-ECP     3     60
            f potential
              4
            2      5.01327000            17.42829500
            2      4.98464000            23.38035300
            2      1.32676000             0.16339200
            2      1.52875800             0.32456600
            s-f potential
              6
            2     13.27722700           283.24470600
            2      8.39951800            62.39646100
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            p-f potential
              8
            2     10.66568200            71.99171600
            2      9.28375300           143.97187100
            2      6.87274900             4.94961500
            2      6.32615000             9.74049900
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            d-f potential
              8
            2      8.21486600            36.37838300
            2      8.00869600            54.56271500
            2      5.05522700             9.88949900
            2      4.78255300            14.69387700
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            -AT     0
            AT-ECP     3     60
            f potential
              4
            2      5.81216300            19.87019800
            2      5.75371500            26.41645200
            2      2.51347200             0.99497000
            2      2.53626100             1.49070100
            s-f potential
              7
            2     30.20083200            49.95715800
            2     13.61230600           283.21037100
            2      8.52934000            62.28105200
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            p-f potential
              8
            2     10.85406500            71.98237100
            2      9.46822900           143.90353200
            2      7.03111400             4.87175900
            2      6.14385800             8.98305900
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            d-f potential
              8
            2      8.31351500            36.36323700
            2      7.99896500            54.54897000
            2      5.17996600             9.77628500
            2      4.94222600            14.26475500
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            -RN     0
            RN-ECP     3     60
            f potential
              4
            2      6.34857100            21.79729000
            2      6.29594900            28.94680500
            2      2.88211800             1.44736500
            2      2.90804800             2.17796400
            s-f potential
              7
            2     30.15124200            49.96555100
            2     14.52124100           283.07000000
            2      8.05203800            62.00287000
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            p-f potential
              8
            2     11.00994200            71.96911900
            2      9.61762500           143.86055900
            2      7.33600800             4.71476100
            2      6.40625300             9.01306500
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            d-f potential
              8
            2      8.36922000            36.36836500
            2      8.11697500            54.55176100
            2      5.35365600             9.63448700
            2      5.09721200            14.38790200
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/30_conformer04/Gau-11551.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/30_conformer04/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     11552.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                 8-Sep-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=48GB
 %chk=30_ibuprofen_conformer05_STD_M11_def2SVPD
 ----------------------------------------------------------------------
 #P M11/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA Gu
 ess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-64,75=-5,116=-2/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Wed Sep  8 12:29:39 2021, MaxMem=  6442450944 cpu:               1.1 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "30_ibuprofen_conformer05_STD_M11_def2SVPD.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                -0.709910000000      0.670807000000     -0.967581000000
  C                                                -1.514787000000     -0.421985000000     -0.641507000000
  C                                                 0.592878000000      0.771936000000     -0.502207000000
  C                                                 1.137615000000     -0.225982000000      0.304676000000
  C                                                 0.347678000000     -1.327177000000      0.619024000000
  C                                                -0.957714000000     -1.421755000000      0.154368000000
  C                                                -2.940864000000     -0.508394000000     -1.117499000000
  C                                                -3.987455000000      0.128199000000     -0.171742000000
  C                                                -3.779028000000      1.632708000000     -0.004548000000
  C                                                -4.041131000000     -0.569211000000      1.186803000000
  C                                                 2.555065000000     -0.110902000000      0.841195000000
  C                                                 3.512909000000      0.020089000000     -0.327512000000
  O                                                 3.916643000000      1.053908000000     -0.793769000000
  O                                                 3.856696000000     -1.186888000000     -0.831471000000
  H                                                -1.108539000000      1.453325000000     -1.601421000000
  H                                                 1.197146000000      1.626236000000     -0.780243000000
  H                                                 0.758326000000     -2.121930000000      1.230081000000
  H                                                -1.550996000000     -2.291094000000      0.409882000000
  H                                                -3.207271000000     -1.558295000000     -1.263900000000
  H                                                -3.023252000000     -0.023303000000     -2.093508000000
  H                                                -4.956106000000     -0.021345000000     -0.661200000000
  H                                                -3.767687000000      2.144305000000     -0.969553000000
  H                                                -2.833997000000      1.845956000000      0.498551000000
  H                                                -4.580691000000      2.067606000000      0.595584000000
  H                                                -3.105962000000     -0.437299000000      1.734311000000
  H                                                -4.217867000000     -1.641741000000      1.078812000000
  H                                                -4.845765000000     -0.157244000000      1.799012000000
  H                                                 2.793783000000     -1.046687000000      1.348092000000
  C                                                 2.714984000000      1.060322000000      1.812332000000
  H                                                 4.422318000000     -1.021428000000     -1.602212000000
  H                                                 2.519413000000      2.006373000000      1.310475000000
  H                                                 3.727494000000      1.097018000000      2.216623000000
  H                                                 2.011507000000      0.951447000000      2.637725000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     33 NQM=       33 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          12          12          12          12          12          12
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000
 NucSpn=           0           0           0           0           0           0           0           0           0           0
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=          12          12          16          16           1           1           1           1           1           1
 AtmWgt=  12.0000000  12.0000000  15.9949146  15.9949146   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           0           0           0           0           1           1           1           1           1           1
 AtZEff=   3.6000000   3.6000000   5.6000000   5.6000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   8.0000000   8.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        21          22          23          24          25          26          27          28          29          30
 IAtWgt=           1           1           1           1           1           1           1           1          12           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250  12.0000000   1.0078250
 NucSpn=           1           1           1           1           1           1           1           1           0           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   3.6000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   0.0000000   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   6.0000000   1.0000000

  Atom        31          32          33
 IAtWgt=           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.088559
 Leave Link  101 at Wed Sep  8 12:29:39 2021, MaxMem=  6442450944 cpu:               1.2 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -0.709910    0.670807   -0.967581
      2          6           0       -1.514787   -0.421985   -0.641507
      3          6           0        0.592878    0.771936   -0.502207
      4          6           0        1.137615   -0.225982    0.304676
      5          6           0        0.347678   -1.327177    0.619024
      6          6           0       -0.957714   -1.421755    0.154368
      7          6           0       -2.940864   -0.508394   -1.117499
      8          6           0       -3.987455    0.128199   -0.171742
      9          6           0       -3.779028    1.632708   -0.004548
     10          6           0       -4.041131   -0.569211    1.186803
     11          6           0        2.555065   -0.110902    0.841195
     12          6           0        3.512909    0.020089   -0.327512
     13          8           0        3.916643    1.053908   -0.793769
     14          8           0        3.856696   -1.186888   -0.831471
     15          1           0       -1.108539    1.453325   -1.601421
     16          1           0        1.197146    1.626236   -0.780243
     17          1           0        0.758326   -2.121930    1.230081
     18          1           0       -1.550996   -2.291094    0.409882
     19          1           0       -3.207271   -1.558295   -1.263900
     20          1           0       -3.023252   -0.023303   -2.093508
     21          1           0       -4.956106   -0.021345   -0.661200
     22          1           0       -3.767687    2.144305   -0.969553
     23          1           0       -2.833997    1.845956    0.498551
     24          1           0       -4.580691    2.067606    0.595584
     25          1           0       -3.105962   -0.437299    1.734311
     26          1           0       -4.217867   -1.641741    1.078812
     27          1           0       -4.845765   -0.157244    1.799012
     28          1           0        2.793783   -1.046687    1.348092
     29          6           0        2.714984    1.060322    1.812332
     30          1           0        4.422318   -1.021428   -1.602212
     31          1           0        2.519413    2.006373    1.310475
     32          1           0        3.727494    1.097018    2.216623
     33          1           0        2.011507    0.951447    2.637725
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.395832   0.000000
     3  C    1.387104   2.426335   0.000000
     4  C    2.415826   2.822927   1.394145   0.000000
     5  C    2.761838   2.424270   2.392396   1.391203   0.000000
     6  C    2.387256   1.394018   2.765449   2.417203   1.388848
     7  C    2.527874   1.505899   3.808564   4.328548   3.807943
     8  C    3.416151   2.576329   4.637139   5.159337   4.640777
     9  C    3.357405   3.123182   4.483543   5.265333   5.116587
    10  C    4.156447   3.121988   5.111308   5.264538   4.489825
    11  C    3.813503   4.342680   2.536594   1.519954   2.530068
    12  C    4.320338   5.056852   3.020327   2.470270   3.567877
    13  O    4.645640   5.630442   3.348422   3.250799   4.516975
    14  O    4.931881   5.428996   3.820722   3.099608   3.799582
    15  H    1.083048   2.145521   2.137143   3.390942   3.844754
    16  H    2.141215   3.401329   1.082715   2.147395   3.376713
    17  H    3.845103   3.399955   3.376782   2.143561   1.083353
    18  H    3.373083   2.144831   3.848409   3.391811   2.139589
    19  H    3.360582   2.131449   4.522310   4.807653   4.029452
    20  H    2.664780   2.131366   4.030017   4.806785   4.518970
    21  H    4.313134   3.464618   5.607655   6.173186   5.610196
    22  H    3.394289   3.430600   4.595251   5.594990   5.613465
    23  H    2.835889   2.860700   3.728070   4.483773   4.495147
    24  H    4.401986   4.138626   5.445156   6.167998   5.984473
    25  H    3.777457   2.859473   4.488394   4.482907   3.736760
    26  H    4.673475   3.428402   5.609699   5.593286   4.599408
    27  H    5.044304   4.137830   5.978112   6.167544   5.452794
    28  H    4.537399   4.786704   3.402202   2.122538   2.567809
    29  C    4.428266   5.109748   3.153346   2.532923   3.567671
    30  H    5.441156   6.044130   4.369299   3.880494   4.650813
    31  H    4.171547   5.097247   2.919107   2.811478   4.038204
    32  H    5.478263   6.160989   4.162155   3.480423   4.455581
    33  H    4.525826   5.007437   3.450204   2.755566   3.469237
                    6          7          8          9         10
     6  C    0.000000
     7  C    2.526808   0.000000
     8  C    3.418777   1.547598   0.000000
     9  C    4.161107   2.554505   1.528052   0.000000
    10  C    3.361579   2.554231   1.528040   2.517233   0.000000
    11  C    3.811782   5.848052   6.624785   6.623911   6.621125
    12  C    4.722033   6.523386   7.502760   7.475105   7.726833
    13  O    5.548624   7.040667   7.982394   7.757656   8.359626
    14  O    4.919917   6.837323   7.980940   8.181577   8.175000
    15  H    3.372184   2.727625   3.476794   3.116680   4.523819
    16  H    3.848008   4.668352   5.430882   5.036274   6.010724
    17  H    2.142941   4.668901   5.436049   6.017408   5.044561
    18  H    1.083061   2.728121   3.482470   4.531236   3.125581
    19  H    2.662824   1.093022   2.155402   3.477840   2.771201
    20  H    3.357836   1.093021   2.155418   2.770798   3.477720
    21  H    4.314329   2.122881   1.095544   2.133681   2.133647
    22  H    4.677171   2.782505   2.179331   1.092289   3.476753
    23  H    3.783759   2.857622   2.174959   1.091635   2.786377
    24  H    5.049384   3.501351   2.168414   1.091768   2.755625
    25  H    2.842594   2.857470   2.174823   2.785961   1.091653
    26  H    3.395819   2.781905   2.179372   3.476818   1.092345
    27  H    4.406902   3.501141   2.168420   2.755846   1.091766
    28  H    3.954666   6.265387   7.048081   7.225693   6.853470
    29  C    4.732680   6.559984   7.051815   6.767634   6.977948
    30  H    5.673674   7.396932   8.607681   8.766929   8.922616
    31  H    5.017874   6.483343   6.932809   6.445097   7.049090
    32  H    5.705111   7.626317   8.134085   7.846556   8.011765
    33  H    4.540421   6.384264   6.675207   6.401251   6.407184
                   11         12         13         14         15
    11  C    0.000000
    12  C    1.516740   0.000000
    13  O    2.425651   1.203818   0.000000
    14  O    2.376931   1.352390   2.241915   0.000000
    15  H    4.672812   5.003478   5.105320   5.676011   0.000000
    16  H    2.736906   2.854371   2.779102   3.871627   2.453653
    17  H    2.724654   3.821265   4.914965   3.837212   4.927985
    18  H    4.668940   5.615020   6.521724   5.657151   4.273381
    19  H    6.303244   6.966271   7.602288   7.086929   3.686252
    20  H    6.303791   6.770674   7.142258   7.090864   2.467530
    21  H    7.660477   8.475688   8.938647   8.891173   4.226398
    22  H    6.952838   7.611280   7.763298   8.321486   2.819180
    23  H    5.743578   6.655778   6.918712   7.465419   2.746133
    24  H    7.464934   8.399452   8.669635   9.155202   4.154517
    25  H    5.740333   6.947645   7.611299   7.458132   4.323340
    26  H    6.947844   8.031458   8.771735   8.309912   5.141109
    27  H    7.462697   8.626760   9.217874   9.149450   5.303182
    28  H    1.090699   2.112534   3.203261   2.428978   5.493433
    29  C    1.529852   2.509522   2.869806   3.652828   5.140767
    30  H    3.207168   1.880596   2.283924   0.970230   6.059272
    31  H    2.168951   2.759594   2.699497   4.071016   4.684766
    32  H    2.173813   2.771001   3.016637   3.811010   6.171842
    33  H    2.156748   3.451705   3.926219   4.473536   5.287431
                   16         17         18         19         20
    16  H    0.000000
    17  H    4.275829   0.000000
    18  H    4.930939   2.456483   0.000000
    19  H    5.456560   4.718430   2.466128   0.000000
    20  H    4.717775   5.454430   3.684749   1.754512   0.000000
    21  H    6.371123   6.375275   4.230101   2.404971   2.405709
    22  H    4.995378   6.597268   5.146778   3.756322   2.552642
    23  H    4.234821   5.402225   4.332336   3.851557   3.201362
    24  H    5.955763   6.816150   5.311478   4.300130   3.745495
    25  H    5.394247   4.245580   2.758367   3.202525   3.851030
    26  H    6.592278   5.001596   2.825124   2.552757   3.756336
    27  H    6.808093   5.965694   4.163953   3.745536   4.300140
    28  H    3.771416   2.305029   4.615831   6.564822   6.835921
    29  C    3.057047   3.780774   5.603342   7.168923   7.025467
    30  H    4.252939   4.760024   6.429701   7.655933   7.528223
    31  H    2.502798   4.488962   5.987280   7.220054   6.813796
    32  H    3.957769   4.488970   6.527333   8.200957   8.087331
    33  H    3.577853   3.605214   5.307427   6.982630   6.977356
                   21         22         23         24         25
    21  H    0.000000
    22  H    2.489470   0.000000
    23  H    3.055353   1.765253   0.000000
    24  H    2.466609   1.765365   1.763373   0.000000
    25  H    3.055245   3.796504   2.610425   3.121870   0.000000
    26  H    2.489643   4.328118   3.796818   3.758245   1.765416
    27  H    2.466432   3.758235   3.122694   2.543317   1.763386
    28  H    8.071515   7.655508   6.384435   8.040395   5.943695
    29  C    8.132280   7.137151   5.756252   7.464715   6.011021
    30  H    9.478423   8.803312   8.080173   9.768654   8.255216
    31  H    7.992655   6.689184   5.417006   7.136266   6.147846
    32  H    9.216155   8.211350   6.823917   8.520314   7.020176
    33  H    7.770255   6.916245   5.371696   6.990939   5.378965
                   26         27         28         29         30
    26  H    0.000000
    27  H    1.765411   0.000000
    28  H    7.042005   7.704358   0.000000
    29  C    7.476872   7.658170   2.158985   0.000000
    30  H    9.067826   9.910222   3.370023   4.348308   0.000000
    31  H    7.665073   7.691928   3.065594   1.088633   4.612198
    32  H    8.480812   8.674580   2.494320   1.090859   4.422001
    33  H    6.925311   6.996772   2.503527   1.089957   5.261303
                   31         32         33
    31  H    0.000000
    32  H    1.762808   0.000000
    33  H    1.769867   1.772887   0.000000
 Stoichiometry    C13H18O2
 Framework group  C1[X(C13H18O2)]
 Deg. of freedom    93
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 2.07D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -0.709910    0.670807   -0.967581
      2          6           0       -1.514787   -0.421985   -0.641507
      3          6           0        0.592878    0.771936   -0.502207
      4          6           0        1.137615   -0.225982    0.304676
      5          6           0        0.347678   -1.327177    0.619024
      6          6           0       -0.957714   -1.421755    0.154368
      7          6           0       -2.940864   -0.508394   -1.117499
      8          6           0       -3.987455    0.128199   -0.171742
      9          6           0       -3.779028    1.632708   -0.004548
     10          6           0       -4.041131   -0.569211    1.186803
     11          6           0        2.555065   -0.110902    0.841195
     12          6           0        3.512909    0.020089   -0.327512
     13          8           0        3.916643    1.053908   -0.793769
     14          8           0        3.856696   -1.186888   -0.831471
     15          1           0       -1.108539    1.453325   -1.601421
     16          1           0        1.197146    1.626236   -0.780243
     17          1           0        0.758326   -2.121930    1.230081
     18          1           0       -1.550996   -2.291094    0.409882
     19          1           0       -3.207271   -1.558295   -1.263900
     20          1           0       -3.023252   -0.023303   -2.093508
     21          1           0       -4.956106   -0.021345   -0.661200
     22          1           0       -3.767687    2.144305   -0.969553
     23          1           0       -2.833997    1.845956    0.498551
     24          1           0       -4.580691    2.067606    0.595584
     25          1           0       -3.105962   -0.437299    1.734311
     26          1           0       -4.217867   -1.641741    1.078812
     27          1           0       -4.845765   -0.157244    1.799012
     28          1           0        2.793783   -1.046687    1.348092
     29          6           0        2.714984    1.060322    1.812332
     30          1           0        4.422318   -1.021428   -1.602212
     31          1           0        2.519413    2.006373    1.310475
     32          1           0        3.727494    1.097018    2.216623
     33          1           0        2.011507    0.951447    2.637725
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           1.4017426           0.2678143           0.2638389
 Leave Link  202 at Wed Sep  8 12:29:39 2021, MaxMem=  6442450944 cpu:               0.2 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:      15     16     17     18     19     20     21     22     23     24
 Centers:      25     26     27     28     30     31     32     33
 S 3 1.00
     Exponent=  1.3010701000D+01 Coefficients=  1.9682158000D-02
     Exponent=  1.9622572000D+00 Coefficients=  1.3796524000D-01
     Exponent=  4.4453796000D-01 Coefficients=  4.7831935000D-01
 S 1 1.00
     Exponent=  1.2194962000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.1704099050D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      5      6      7      8      9     10
 Centers:      11     12     29
 S 5 1.00
     Exponent=  1.2384016938D+03 Coefficients=  5.4568832082D-03
     Exponent=  1.8629004992D+02 Coefficients=  4.0638409211D-02
     Exponent=  4.2251176346D+01 Coefficients=  1.8025593888D-01
     Exponent=  1.1676557932D+01 Coefficients=  4.6315121755D-01
     Exponent=  3.5930506482D+00 Coefficients=  4.4087173314D-01
 S 1 1.00
     Exponent=  4.0245147363D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.3090182668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.7053540256D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  9.4680970621D+00 Coefficients=  3.8387871728D-02
     Exponent=  2.0103545142D+00 Coefficients=  2.1117025112D-01
     Exponent=  5.4771004707D-01 Coefficients=  5.1328172114D-01
 P 1 1.00
     Exponent=  1.5268613795D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1713185140D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:      13     14
 S 5 1.00
     Exponent=  2.2661767785D+03 Coefficients= -5.3431809926D-03
     Exponent=  3.4087010191D+02 Coefficients= -3.9890039230D-02
     Exponent=  7.7363135167D+01 Coefficients= -1.7853911985D-01
     Exponent=  2.1479644940D+01 Coefficients= -4.6427684959D-01
     Exponent=  6.6589433124D+00 Coefficients= -4.4309745172D-01
 S 1 1.00
     Exponent=  8.0975975668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.5530772234D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.6572453250D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  1.7721504317D+01 Coefficients=  4.3394573193D-02
     Exponent=  3.8635505440D+00 Coefficients=  2.3094120765D-01
     Exponent=  1.0480920883D+00 Coefficients=  5.1375311064D-01
 P 1 1.00
     Exponent=  2.7641544411D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.9002276350D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.2000000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.7992024323D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 There are   480 symmetry adapted cartesian basis functions of A   symmetry.
 There are   450 symmetry adapted basis functions of A   symmetry.
   450 basis functions,   666 primitive gaussians,   480 cartesian basis functions
    56 alpha electrons       56 beta electrons
       nuclear repulsion energy       981.3510194734 Hartrees.
 IExCor= 5042 DFT=T Ex+Corr=M11 ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=  4
 HFx  wShort=  0.000000 wLong=  0.250000 cFull=  0.428000 cShort=  0.000000 cLong=  0.572000
 DFx  wShort=  0.000000 wLong=  0.250000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   33 NActive=   33 NUniq=   33 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 Leave Link  301 at Wed Sep  8 12:29:41 2021, MaxMem=  6442450944 cpu:               6.0 elap:               0.9
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   450 RedAO= T EigKep=  3.86D-06  NBF=   450
 NBsUse=   450 1.00D-06 EigRej= -1.00D+00 NBFU=   450
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   478   478   478   478   478 MxSgAt=    33 MxSgA2=    33.
 Leave Link  302 at Wed Sep  8 12:29:43 2021, MaxMem=  6442450944 cpu:              13.2 elap:               1.9
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Wed Sep  8 12:29:44 2021, MaxMem=  6442450944 cpu:               1.7 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "30_ibuprofen_conformer05_STD_M11_def2SVPD.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=    -0.000000   -0.000000    0.000000
         Rot=    1.000000   -0.000000   -0.000000   -0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Wed Sep  8 12:29:45 2021, MaxMem=  6442450944 cpu:               9.8 elap:               1.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  6442450944 LenX=  6441981585 LenY=  6441750705
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -655.824454294875    
 DIIS: error= 4.11D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -655.824454294875     IErMin= 1 ErrMin= 4.11D-03
 ErrMax= 4.11D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.47D-02 BMatP= 2.47D-02
 IDIUse=3 WtCom= 9.59D-01 WtEn= 4.11D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.391 Goal=   None    Shift=    0.000
 GapD=    0.391 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=1.30D-02 MaxDP=7.04D-01              OVMax= 2.01D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  1.07D-02    CP:  1.20D+00
 E= -655.850194212846     Delta-E=       -0.025739917971 Rises=F Damp=F
 DIIS: error= 1.05D-03 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -655.850194212846     IErMin= 2 ErrMin= 1.05D-03
 ErrMax= 1.05D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.07D-03 BMatP= 2.47D-02
 IDIUse=3 WtCom= 9.89D-01 WtEn= 1.05D-02
 Coeff-Com: -0.286D-01 0.103D+01
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:     -0.283D-01 0.103D+01
 Gap=     0.373 Goal=   None    Shift=    0.000
 RMSDP=3.11D-03 MaxDP=1.63D-01 DE=-2.57D-02 OVMax= 9.59D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  1.13D-03    CP:  1.27D+00  1.14D+00
 E= -655.851122703877     Delta-E=       -0.000928491032 Rises=F Damp=F
 DIIS: error= 9.60D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -655.851122703877     IErMin= 3 ErrMin= 9.60D-04
 ErrMax= 9.60D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.65D-04 BMatP= 1.07D-03
 IDIUse=3 WtCom= 9.90D-01 WtEn= 9.60D-03
 Coeff-Com: -0.608D-01 0.482D+00 0.579D+00
 Coeff-En:   0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.602D-01 0.477D+00 0.583D+00
 Gap=     0.372 Goal=   None    Shift=    0.000
 RMSDP=2.91D-04 MaxDP=1.71D-02 DE=-9.28D-04 OVMax= 4.81D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  1.37D-04    CP:  1.28D+00  1.15D+00  1.05D+00
 E= -655.851624812398     Delta-E=       -0.000502108521 Rises=F Damp=F
 DIIS: error= 1.96D-04 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -655.851624812398     IErMin= 4 ErrMin= 1.96D-04
 ErrMax= 1.96D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.64D-05 BMatP= 7.65D-04
 IDIUse=3 WtCom= 9.98D-01 WtEn= 1.96D-03
 Coeff-Com: -0.141D-01 0.412D-01 0.153D+00 0.820D+00
 Coeff-En:   0.000D+00 0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.140D-01 0.411D-01 0.153D+00 0.820D+00
 Gap=     0.372 Goal=   None    Shift=    0.000
 RMSDP=7.46D-05 MaxDP=3.09D-03 DE=-5.02D-04 OVMax= 1.13D-03

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  6.70D-05    CP:  1.28D+00  1.15D+00  1.06D+00  1.17D+00
 E= -655.851647295177     Delta-E=       -0.000022482779 Rises=F Damp=F
 DIIS: error= 1.05D-04 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -655.851647295177     IErMin= 5 ErrMin= 1.05D-04
 ErrMax= 1.05D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.44D-06 BMatP= 2.64D-05
 IDIUse=3 WtCom= 9.99D-01 WtEn= 1.05D-03
 Coeff-Com:  0.965D-03-0.364D-01-0.723D-02 0.358D+00 0.684D+00
 Coeff-En:   0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.100D+01
 Coeff:      0.964D-03-0.363D-01-0.722D-02 0.358D+00 0.684D+00
 Gap=     0.372 Goal=   None    Shift=    0.000
 RMSDP=2.85D-05 MaxDP=1.07D-03 DE=-2.25D-05 OVMax= 8.29D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  2.25D-05    CP:  1.28D+00  1.15D+00  1.07D+00  1.22D+00  1.08D+00
 E= -655.851652577758     Delta-E=       -0.000005282581 Rises=F Damp=F
 DIIS: error= 2.74D-05 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -655.851652577758     IErMin= 6 ErrMin= 2.74D-05
 ErrMax= 2.74D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.39D-07 BMatP= 6.44D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.192D-02-0.215D-01-0.205D-01 0.847D-01 0.326D+00 0.630D+00
 Coeff:      0.192D-02-0.215D-01-0.205D-01 0.847D-01 0.326D+00 0.630D+00
 Gap=     0.372 Goal=   None    Shift=    0.000
 RMSDP=7.88D-06 MaxDP=3.33D-04 DE=-5.28D-06 OVMax= 1.98D-04

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  6.07D-06    CP:  1.28D+00  1.15D+00  1.07D+00  1.23D+00  1.12D+00
                    CP:  1.10D+00
 E= -655.851653237892     Delta-E=       -0.000000660134 Rises=F Damp=F
 DIIS: error= 5.07D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -655.851653237892     IErMin= 7 ErrMin= 5.07D-06
 ErrMax= 5.07D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.36D-08 BMatP= 8.39D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.383D-03-0.172D-02-0.470D-02-0.177D-01 0.129D-01 0.157D+00
 Coeff-Com:  0.854D+00
 Coeff:      0.383D-03-0.172D-02-0.470D-02-0.177D-01 0.129D-01 0.157D+00
 Coeff:      0.854D+00
 Gap=     0.372 Goal=   None    Shift=    0.000
 RMSDP=4.49D-06 MaxDP=2.17D-04 DE=-6.60D-07 OVMax= 7.72D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  3.43D-06    CP:  1.28D+00  1.15D+00  1.07D+00  1.23D+00  1.14D+00
                    CP:  1.16D+00  1.20D+00
 E= -655.851653286569     Delta-E=       -0.000000048677 Rises=F Damp=F
 DIIS: error= 1.19D-06 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -655.851653286569     IErMin= 8 ErrMin= 1.19D-06
 ErrMax= 1.19D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.74D-09 BMatP= 3.36D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.879D-04 0.151D-02 0.941D-03-0.104D-01-0.245D-01-0.390D-01
 Coeff-Com:  0.135D+00 0.937D+00
 Coeff:     -0.879D-04 0.151D-02 0.941D-03-0.104D-01-0.245D-01-0.390D-01
 Coeff:      0.135D+00 0.937D+00
 Gap=     0.372 Goal=   None    Shift=    0.000
 RMSDP=1.45D-06 MaxDP=5.50D-05 DE=-4.87D-08 OVMax= 2.60D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  8.54D-07    CP:  1.28D+00  1.15D+00  1.07D+00  1.23D+00  1.14D+00
                    CP:  1.20D+00  1.24D+00  1.07D+00
 E= -655.851653291157     Delta-E=       -0.000000004589 Rises=F Damp=F
 DIIS: error= 6.08D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -655.851653291157     IErMin= 9 ErrMin= 6.08D-07
 ErrMax= 6.08D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.78D-10 BMatP= 2.74D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.684D-04 0.788D-03 0.795D-03-0.309D-02-0.107D-01-0.304D-01
 Coeff-Com: -0.126D-01 0.381D+00 0.675D+00
 Coeff:     -0.684D-04 0.788D-03 0.795D-03-0.309D-02-0.107D-01-0.304D-01
 Coeff:     -0.126D-01 0.381D+00 0.675D+00
 Gap=     0.372 Goal=   None    Shift=    0.000
 RMSDP=4.60D-07 MaxDP=1.94D-05 DE=-4.59D-09 OVMax= 8.31D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  3.25D-07    CP:  1.28D+00  1.15D+00  1.07D+00  1.23D+00  1.14D+00
                    CP:  1.19D+00  1.26D+00  1.11D+00  1.00D+00
 E= -655.851653291738     Delta-E=       -0.000000000581 Rises=F Damp=F
 DIIS: error= 1.68D-07 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -655.851653291738     IErMin=10 ErrMin= 1.68D-07
 ErrMax= 1.68D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.95D-11 BMatP= 5.78D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.723D-05 0.116D-04 0.900D-04 0.536D-03 0.869D-03-0.362D-02
 Coeff-Com: -0.209D-01-0.287D-01 0.179D+00 0.873D+00
 Coeff:     -0.723D-05 0.116D-04 0.900D-04 0.536D-03 0.869D-03-0.362D-02
 Coeff:     -0.209D-01-0.287D-01 0.179D+00 0.873D+00
 Gap=     0.372 Goal=   None    Shift=    0.000
 RMSDP=2.47D-07 MaxDP=1.15D-05 DE=-5.81D-10 OVMax= 4.26D-06

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  1.10D-07    CP:  1.28D+00  1.15D+00  1.07D+00  1.23D+00  1.14D+00
                    CP:  1.20D+00  1.25D+00  1.13D+00  1.05D+00  9.97D-01
 E= -655.851653291861     Delta-E=       -0.000000000123 Rises=F Damp=F
 DIIS: error= 8.83D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -655.851653291861     IErMin=11 ErrMin= 8.83D-08
 ErrMax= 8.83D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.80D-12 BMatP= 4.95D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.502D-05-0.820D-04-0.573D-04 0.476D-03 0.153D-02 0.182D-02
 Coeff-Com: -0.432D-02-0.500D-01-0.211D-01 0.268D+00 0.804D+00
 Coeff:      0.502D-05-0.820D-04-0.573D-04 0.476D-03 0.153D-02 0.182D-02
 Coeff:     -0.432D-02-0.500D-01-0.211D-01 0.268D+00 0.804D+00
 Gap=     0.372 Goal=   None    Shift=    0.000
 RMSDP=4.63D-08 MaxDP=1.47D-06 DE=-1.23D-10 OVMax= 1.42D-06

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  3.68D-08    CP:  1.28D+00  1.15D+00  1.07D+00  1.23D+00  1.14D+00
                    CP:  1.20D+00  1.25D+00  1.13D+00  1.07D+00  1.05D+00
                    CP:  9.86D-01
 E= -655.851653291920     Delta-E=       -0.000000000059 Rises=F Damp=F
 DIIS: error= 2.43D-08 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=12 EnMin= -655.851653291920     IErMin=12 ErrMin= 2.43D-08
 ErrMax= 2.43D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.86D-13 BMatP= 6.80D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.199D-05-0.187D-04-0.232D-04 0.232D-04 0.254D-03 0.769D-03
 Coeff-Com:  0.232D-02-0.708D-02-0.308D-01-0.640D-01 0.177D+00 0.922D+00
 Coeff:      0.199D-05-0.187D-04-0.232D-04 0.232D-04 0.254D-03 0.769D-03
 Coeff:      0.232D-02-0.708D-02-0.308D-01-0.640D-01 0.177D+00 0.922D+00
 Gap=     0.372 Goal=   None    Shift=    0.000
 RMSDP=2.03D-08 MaxDP=1.26D-06 DE=-5.91D-11 OVMax= 7.33D-07

 Cycle  13  Pass 1  IDiag  1:
 RMSU=  1.62D-08    CP:  1.28D+00  1.15D+00  1.07D+00  1.23D+00  1.14D+00
                    CP:  1.20D+00  1.25D+00  1.13D+00  1.07D+00  1.06D+00
                    CP:  1.05D+00  1.13D+00
 E= -655.851653291971     Delta-E=       -0.000000000051 Rises=F Damp=F
 DIIS: error= 1.05D-08 at cycle  13 NSaved=  13.
 NSaved=13 IEnMin=13 EnMin= -655.851653291971     IErMin=13 ErrMin= 1.05D-08
 ErrMax= 1.05D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.67D-14 BMatP= 7.86D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.222D-06 0.626D-05 0.303D-05-0.538D-04-0.126D-03-0.100D-03
 Coeff-Com:  0.101D-02 0.464D-02-0.390D-02-0.457D-01-0.648D-01 0.189D+00
 Coeff-Com:  0.920D+00
 Coeff:     -0.222D-06 0.626D-05 0.303D-05-0.538D-04-0.126D-03-0.100D-03
 Coeff:      0.101D-02 0.464D-02-0.390D-02-0.457D-01-0.648D-01 0.189D+00
 Coeff:      0.920D+00
 Gap=     0.372 Goal=   None    Shift=    0.000
 RMSDP=1.12D-08 MaxDP=7.39D-07 DE=-5.14D-11 OVMax= 3.13D-07

 Cycle  14  Pass 1  IDiag  1:
 RMSU=  5.82D-09    CP:  1.28D+00  1.15D+00  1.07D+00  1.23D+00  1.14D+00
                    CP:  1.20D+00  1.25D+00  1.13D+00  1.07D+00  1.06D+00
                    CP:  1.06D+00  1.22D+00  1.15D+00
 E= -655.851653291930     Delta-E=        0.000000000042 Rises=F Damp=F
 DIIS: error= 3.74D-09 at cycle  14 NSaved=  14.
 NSaved=14 IEnMin=13 EnMin= -655.851653291971     IErMin=14 ErrMin= 3.74D-09
 ErrMax= 3.74D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.56D-14 BMatP= 8.67D-14
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.311D-06 0.432D-05 0.386D-05-0.224D-04-0.741D-04-0.129D-03
 Coeff-Com:  0.697D-04 0.247D-02 0.227D-02-0.777D-02-0.429D-01-0.455D-01
 Coeff-Com:  0.318D+00 0.774D+00
 Coeff:     -0.311D-06 0.432D-05 0.386D-05-0.224D-04-0.741D-04-0.129D-03
 Coeff:      0.697D-04 0.247D-02 0.227D-02-0.777D-02-0.429D-01-0.455D-01
 Coeff:      0.318D+00 0.774D+00
 Gap=     0.372 Goal=   None    Shift=    0.000
 RMSDP=4.27D-09 MaxDP=2.31D-07 DE= 4.16D-11 OVMax= 1.28D-07

 SCF Done:  E(RM11) =  -655.851653292     A.U. after   14 cycles
            NFock= 14  Conv=0.43D-08     -V/T= 2.0120
 KE= 6.480729757259D+02 PE=-3.484301357617D+03 EE= 1.199025709126D+03
 Leave Link  502 at Wed Sep  8 12:42:41 2021, MaxMem=  6442450944 cpu:            6153.0 elap:             775.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   450
 NBasis=   450 NAE=    56 NBE=    56 NFC=     0 NFV=     0
 NROrb=    450 NOA=    56 NOB=    56 NVA=   394 NVB=   394

 **** Warning!!: The largest alpha MO coefficient is  0.77064973D+02

 Leave Link  801 at Wed Sep  8 12:42:42 2021, MaxMem=  6442450944 cpu:               0.8 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
        10052 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    6442450944 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.088559
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          33
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 3.68D-13 8.33D-09 XBig12= 1.00D+00 3.30D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 3.68D-13 8.33D-09 XBig12= 1.83D-01 7.18D-02.
     11 vectors produced by pass  2 Test12= 3.68D-13 8.33D-09 XBig12= 3.63D-02 6.00D-02.
     11 vectors produced by pass  3 Test12= 3.68D-13 8.33D-09 XBig12= 4.76D-03 1.89D-02.
     11 vectors produced by pass  4 Test12= 3.68D-13 8.33D-09 XBig12= 4.85D-04 4.42D-03.
     11 vectors produced by pass  5 Test12= 3.68D-13 8.33D-09 XBig12= 6.81D-05 1.18D-03.
     11 vectors produced by pass  6 Test12= 3.68D-13 8.33D-09 XBig12= 5.32D-06 4.26D-04.
     11 vectors produced by pass  7 Test12= 3.68D-13 8.33D-09 XBig12= 2.19D-07 5.15D-05.
     11 vectors produced by pass  8 Test12= 3.68D-13 8.33D-09 XBig12= 9.18D-09 1.64D-05.
     11 vectors produced by pass  9 Test12= 3.68D-13 8.33D-09 XBig12= 3.36D-10 2.44D-06.
     11 vectors produced by pass 10 Test12= 3.68D-13 8.33D-09 XBig12= 9.82D-12 2.96D-07.
      8 vectors produced by pass 11 Test12= 3.68D-13 8.33D-09 XBig12= 3.00D-13 4.86D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 2.84D-14
 Solved reduced A of dimension   129 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.088559:
                1             2             3 
      1  0.208890D+03
      2  0.614315D+01  0.151633D+03
      3  0.769430D+01 -0.880309D+01  0.136766D+03
 Isotropic polarizability for W=    0.088559      165.76 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.088559:
                 1             2             3 
      1  -0.194048D+03  0.222934D+02 -0.396929D+02
      2   0.854601D+02 -0.237619D+02 -0.438118D+01
      3   0.108587D+03  0.146849D+01  0.440741D+02
      4   0.318291D+02 -0.108507D+03  0.243852D+02
      5   0.196711D+02  0.274764D+02 -0.972836D+02
      6   0.501216D+01  0.224794D+02  0.276937D+02
 Dipole-magnetic dipole polarizability for W=    0.088559:
                 1             2             3 
      1   0.652471D+01  0.440012D+01 -0.867036D+00
      2  -0.979916D+01  0.855805D+01 -0.504334D+02
      3  -0.340225D+02  0.498715D+02 -0.164682D+02
 DQ contribution to OR G for W=    0.088559:
                 1             2             3 
      1   0.309123D+01  0.268605D+02 -0.262252D+02
      2  -0.593640D+02  0.193730D+02 -0.205871D+03
      3   0.953564D+01  0.193967D+03 -0.224643D+02
 Optical Rotation G' tensor for W=    0.088559:
                 1             2             3 
      1  -0.318227D+01 -0.271317D+01  0.663618D+01
      2  -0.271317D+01 -0.128482D+00 -0.134752D+01
      3   0.663618D+01 -0.134752D+01  0.192531D+01
 OR G Eigenvalues:    -8.0318    -0.7808     7.4271  Iso=     0.4618
 Eigenvectors:
   (1)   0.828157   0.194688  -0.525598
   (2)   0.029180   0.921489   0.387307
   (3)   0.559737  -0.336087   0.757456
 w=    0.088559 a.u., Optical Rotation Beta=      0.4618 au.
 Molar Mass =    206.2840 grams/mole, [Alpha] ( 5145.0 A) =      113.52 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=  101475 ScalPx= 5.99D+01
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=  101475 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 1.24D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 6.13D-14 2.78D-09 XBig12= 1.00D+00 4.07D-01.
     30 vectors produced by pass  1 Test12= 6.13D-14 2.78D-09 XBig12= 5.37D-02 4.90D-02.
     30 vectors produced by pass  2 Test12= 6.13D-14 2.78D-09 XBig12= 3.25D-03 8.71D-03.
     30 vectors produced by pass  3 Test12= 6.13D-14 2.78D-09 XBig12= 1.42D-04 1.26D-03.
     30 vectors produced by pass  4 Test12= 6.13D-14 2.78D-09 XBig12= 3.69D-06 2.04D-04.
     30 vectors produced by pass  5 Test12= 6.13D-14 2.78D-09 XBig12= 7.96D-08 2.70D-05.
     30 vectors produced by pass  6 Test12= 6.13D-14 2.78D-09 XBig12= 1.11D-09 2.67D-06.
     30 vectors produced by pass  7 Test12= 6.13D-14 2.78D-09 XBig12= 1.31D-11 3.62D-07.
     30 vectors produced by pass  8 Test12= 6.13D-14 2.78D-09 XBig12= 1.64D-13 3.07D-08.
      6 vectors produced by pass  9 Test12= 6.13D-14 2.78D-09 XBig12= 1.43D-14 1.42D-08.
      1 vectors produced by pass 10 Test12= 6.13D-14 2.78D-09 XBig12= 7.89D-15 7.20D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 2.00D-15
 Solved reduced A of dimension   277 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=  101475 ScalPx= 1.50D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=  101475 ScalPx= 1.50D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=  101475 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 1.33D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.208890D+03  0.614315D+01  0.769430D+01
      2   0.614315D+01  0.151633D+03 -0.880309D+01
      3   0.769430D+01 -0.880309D+01  0.136766D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1   0.652471D+01  0.440012D+01 -0.867036D+00
      2  -0.979916D+01  0.855805D+01 -0.504334D+02
      3  -0.340225D+02  0.498715D+02 -0.164682D+02
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1  -0.194048D+03  0.222934D+02 -0.396929D+02
      2   0.854601D+02 -0.237619D+02 -0.438118D+01
      3   0.108587D+03  0.146849D+01  0.440741D+02
      4   0.318291D+02 -0.108507D+03  0.243852D+02
      5   0.196711D+02  0.274764D+02 -0.972836D+02
      6   0.501216D+01  0.224794D+02  0.276937D+02
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    99 ND12= 1 LenFil=    3567:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.829170D+01  0.127452D+01  0.228273D+01  0.109834D+02 -0.388393D+00
      2   0.127452D+01 -0.149357D+01 -0.931870D-01 -0.388393D+00  0.206334D+01
      3   0.228273D+01 -0.931870D-01  0.492329D+00  0.120753D+01  0.928965D+00
                 6             7             8             9            10 
      1   0.120753D+01 -0.524579D+00 -0.173099D+01  0.967514D-01 -0.270659D+02
      2   0.928965D+00 -0.173099D+01  0.802901D+00  0.649279D+00  0.107184D+00
      3  -0.655920D+00  0.967514D-01  0.649279D+00 -0.390411D+01 -0.321205D+01
                11            12            13            14            15 
      1   0.107184D+00 -0.321205D+01  0.180327D+00 -0.131348D+01 -0.176211D+01
      2  -0.245800D+01  0.676783D+00 -0.131348D+01 -0.167336D+01 -0.419154D+00
      3   0.676783D+00 -0.186058D+01 -0.176211D+01 -0.419154D+00 -0.966459D+00
                16            17            18            19            20 
      1  -0.635367D+01 -0.165916D+01 -0.400582D+01 -0.629609D+01 -0.663624D+00
      2  -0.165916D+01 -0.629325D+00 -0.611120D+00 -0.663624D+00  0.431682D+00
      3  -0.400582D+01 -0.611120D+00 -0.293153D+01 -0.246643D+01 -0.123593D+01
                21            22            23            24            25 
      1  -0.246643D+01  0.855691D+01  0.480549D+00  0.258789D+01 -0.871631D+01
      2  -0.123593D+01  0.480549D+00  0.285446D+01  0.113027D+01 -0.741210D+00
      3   0.199382D+01  0.258789D+01  0.113027D+01  0.876204D+00 -0.398000D+00
                26            27            28            29            30 
      1  -0.741210D+00 -0.398000D+00  0.230422D+02  0.143226D+01  0.428559D+01
      2   0.175479D+01  0.749925D+00  0.143226D+01  0.223880D+01 -0.843784D-01
      3   0.749925D+00 -0.171600D+01  0.428559D+01 -0.843784D-01  0.255922D+01
                31            32            33            34            35 
      1   0.976475D+00  0.101405D+01  0.170347D+01  0.371913D+01  0.199415D+01
      2   0.101405D+01 -0.648177D+00  0.708784D+00  0.199415D+01  0.197658D+01
      3   0.170347D+01  0.708784D+00  0.187255D+01  0.493312D+01  0.839508D+00
                36            37            38            39            40 
      1   0.493312D+01 -0.957626D+01 -0.125330D+01 -0.280014D+01 -0.115532D+02
      2   0.839508D+00 -0.125330D+01  0.321032D+01  0.110505D+00 -0.758345D+00
      3   0.214428D+01 -0.280014D+01  0.110505D+00 -0.742684D+00 -0.115110D+01
                41            42            43            44            45 
      1  -0.758345D+00 -0.115110D+01  0.528623D+00  0.178660D+01  0.306716D+00
      2  -0.146544D+01 -0.145522D+01  0.178660D+01 -0.863788D+00 -0.996663D+00
      3  -0.145522D+01 -0.482031D-01  0.306716D+00 -0.996663D+00  0.393115D+01
                46            47            48            49            50 
      1   0.711183D+01  0.557446D+00  0.257547D+01 -0.757113D+01  0.782423D+00
      2   0.557446D+00 -0.158286D+01  0.132603D+01  0.782423D+00 -0.201961D+01
      3   0.257547D+01  0.132603D+01 -0.160041D+01 -0.236188D+01 -0.116949D+01
                51            52            53            54            55 
      1  -0.236188D+01  0.103864D+02  0.331435D+00 -0.167342D+00  0.153893D+02
      2  -0.116949D+01  0.331435D+00 -0.342623D+01 -0.117582D+01 -0.171745D+01
      3  -0.105235D+01 -0.167342D+00 -0.117582D+01  0.138683D+01 -0.135580D+01
                56            57            58            59            60 
      1  -0.171745D+01 -0.135580D+01 -0.396720D+01  0.361029D+01  0.142069D+01
      2   0.197718D+01  0.945261D+00  0.361029D+01  0.474514D+01  0.212375D+01
      3   0.945261D+00  0.143536D+01  0.142069D+01  0.212375D+01 -0.260224D+01
                61            62            63            64            65 
      1  -0.500886D+01  0.166417D+01  0.357548D+01 -0.101417D+01  0.309148D+01
      2   0.166417D+01  0.834418D+00 -0.209120D+01  0.309148D+01 -0.118865D+01
      3   0.357548D+01 -0.209120D+01  0.459839D+01  0.566166D+01 -0.801948D+00
                66            67            68            69            70 
      1   0.566166D+01  0.739386D+01 -0.122385D+01 -0.102439D+01  0.131987D+02
      2  -0.801948D+00 -0.122385D+01 -0.464572D+01 -0.711283D+00 -0.175581D+01
      3   0.370149D+00 -0.102439D+01 -0.711283D+00  0.330452D+01  0.467334D+00
                71            72            73            74            75 
      1  -0.175581D+01  0.467334D+00  0.170780D+00 -0.331956D+01 -0.458275D+01
      2  -0.897551D+00  0.341116D+01 -0.331956D+01  0.194489D+01  0.126062D+01
      3   0.341116D+01 -0.141372D+01 -0.458275D+01  0.126062D+01  0.231724D+00
                76            77            78            79            80 
      1  -0.393261D+01  0.994501D+00  0.803991D+00 -0.626497D+01  0.154161D+01
      2   0.994501D+00  0.290292D+01  0.900513D+00  0.154161D+01  0.120055D+01
      3   0.803991D+00  0.900513D+00 -0.341802D+01  0.743144D+00 -0.424642D+01
                81            82            83            84            85 
      1   0.743144D+00  0.436040D+00 -0.201652D+01 -0.520264D+01 -0.318932D+01
      2  -0.424642D+01 -0.201652D+01  0.132747D+01  0.841546D+00  0.174543D+01
      3   0.258673D+01 -0.520264D+01  0.841546D+00  0.928365D+00  0.177632D+01
                86            87            88            89            90 
      1   0.174543D+01  0.177632D+01 -0.653508D+01  0.144393D+01  0.288174D+00
      2   0.623895D+01  0.330295D+00  0.144393D+01  0.118242D+01 -0.282681D+01
      3   0.330295D+00 -0.295185D+01  0.288174D+00 -0.282681D+01  0.601270D+00
                91            92            93            94            95 
      1  -0.271960D+01  0.822291D+00  0.476985D+00 -0.144809D+01 -0.237304D+01
      2   0.822291D+00 -0.121098D+01 -0.292358D+00 -0.237304D+01  0.173803D+01
      3   0.476985D+00 -0.292358D+00 -0.203389D+01 -0.181496D+01 -0.406111D+01
                96            97            98            99           100 
      1  -0.181496D+01  0.438187D+01 -0.126161D+01 -0.484423D+01 -0.197065D+01
      2  -0.406111D+01 -0.126161D+01 -0.320982D+01 -0.593881D+00 -0.200778D+01
      3  -0.214487D+01 -0.484423D+01 -0.593881D+00 -0.931924D+00 -0.246564D+00
               101           102           103           104           105 
      1  -0.200778D+01 -0.246564D+00 -0.381766D+01 -0.163940D+01  0.180217D+01
      2  -0.108737D+01  0.172131D+00 -0.163940D+01 -0.268319D+01  0.208692D+01
      3   0.172131D+00  0.121588D+01  0.180217D+01  0.208692D+01 -0.131484D+01
               106           107           108           109           110 
      1  -0.247820D+00  0.901394D+00  0.144631D+01  0.492624D+01  0.354847D+01
      2   0.901394D+00  0.206838D+01 -0.501863D+00  0.354847D+01  0.231563D+01
      3   0.144631D+01 -0.501863D+00 -0.147998D+01 -0.149565D+01 -0.403593D+00
               111           112           113           114           115 
      1  -0.149565D+01  0.803158D+01  0.352409D+01 -0.168321D+01 -0.346697D+01
      2  -0.403593D+00  0.352409D+01  0.794880D+01 -0.149743D+01 -0.102041D+01
      3   0.696496D+00 -0.168321D+01 -0.149743D+01  0.301956D+01  0.181475D+01
               116           117           118           119           120 
      1  -0.102041D+01  0.181475D+01 -0.910162D+00 -0.104442D+01  0.186489D+01
      2  -0.217031D+01  0.225804D+01 -0.104442D+01  0.956946D-02 -0.523808D+00
      3   0.225804D+01 -0.229632D+01  0.186489D+01 -0.523808D+00 -0.250958D+01
               121           122           123           124           125 
      1  -0.414065D+01  0.178628D+01  0.522346D+00  0.275286D+01 -0.810915D+00
      2   0.178628D+01 -0.469320D+01 -0.148144D+01 -0.810915D+00  0.181401D+00
      3   0.522346D+00 -0.148144D+01 -0.128175D+01 -0.254836D+01 -0.552276D+00
               126           127           128           129           130 
      1  -0.254836D+01 -0.190609D+01  0.138265D+01 -0.115501D+01  0.146468D+01
      2  -0.552276D+00  0.138265D+01 -0.983685D+00  0.860131D+00 -0.156298D+01
      3   0.278993D+01 -0.115501D+01  0.860131D+00 -0.116187D+01  0.109949D+01
               131           132           133           134           135 
      1  -0.156298D+01  0.109949D+01 -0.169401D+01  0.151068D+01 -0.125638D+01
      2   0.416605D+01 -0.274164D+01  0.151068D+01 -0.274161D+01  0.221297D+01
      3  -0.274164D+01  0.279827D+01 -0.125638D+01  0.221297D+01 -0.259722D+01
               136           137           138           139           140 
      1   0.384820D+01  0.210505D+01 -0.506050D+00  0.260278D+01  0.261525D+01
      2   0.210505D+01  0.202632D+01 -0.352313D+00  0.261525D+01  0.448896D+01
      3  -0.506050D+00 -0.352313D+00  0.515965D+00 -0.934794D+00 -0.143117D+01
               141           142           143           144           145 
      1  -0.934794D+00 -0.767181D+00 -0.783455D+00  0.344272D+00  0.191197D+01
      2  -0.143117D+01 -0.783455D+00 -0.185613D+01  0.776894D+00 -0.147098D+01
      3   0.125355D+01  0.344272D+00  0.776894D+00 -0.759409D+00  0.142326D+01
               146           147           148           149           150 
      1  -0.147098D+01  0.142326D+01 -0.151039D+01  0.179823D+01 -0.122397D+01
      2   0.141044D+01 -0.108222D+01  0.179823D+01 -0.532392D+01  0.297454D+01
      3  -0.108222D+01  0.125841D+01 -0.122397D+01  0.297454D+01 -0.269178D+01
               151           152           153           154           155 
      1   0.141581D+01 -0.155054D+01  0.116553D+01 -0.343571D+01 -0.241222D+01
      2  -0.155054D+01  0.320911D+01 -0.220905D+01 -0.241222D+01 -0.279812D+01
      3   0.116553D+01 -0.220905D+01  0.213541D+01  0.614338D+00  0.369248D+00
               156           157           158           159           160 
      1   0.614338D+00 -0.285525D+01 -0.316092D+01  0.944083D+00  0.512412D+00
      2   0.369248D+00 -0.316092D+01 -0.598880D+01  0.142331D+01  0.668323D+00
      3  -0.399022D+00  0.944083D+00  0.142331D+01 -0.108119D+01 -0.414234D+00
               161           162           163           164           165 
      1   0.668323D+00 -0.414234D+00 -0.251724D+01 -0.171800D+01 -0.312020D+00
      2   0.196085D+01 -0.766415D+00 -0.171800D+01 -0.154391D+01 -0.719867D+00
      3  -0.766415D+00  0.528988D+00 -0.312020D+00 -0.719867D+00 -0.735669D+00
               166           167           168           169           170 
      1  -0.381463D+01 -0.258329D+01 -0.125389D+01  0.151117D+01 -0.663025D+00
      2  -0.258329D+01 -0.693849D+01 -0.250054D+01 -0.663025D+00 -0.108675D+01
      3  -0.125389D+01 -0.250054D+01 -0.165828D+01 -0.846476D+00 -0.121647D+01
               171           172           173           174           175 
      1  -0.846476D+00 -0.108189D+01  0.740597D+00 -0.125321D+01  0.327783D+01
      2  -0.121647D+01  0.740597D+00 -0.400664D+00  0.477337D-01 -0.925268D+00
      3  -0.149324D+01 -0.125321D+01  0.477337D-01 -0.933641D+00  0.775851D+00
               176           177           178           179           180 
      1  -0.925268D+00  0.775851D+00 -0.197866D+01  0.249511D+00 -0.227227D+01
      2   0.595546D+00 -0.150458D+01  0.249511D+00 -0.104145D+01  0.119318D+01
      3  -0.150458D+01  0.257567D+01 -0.227227D+01  0.119318D+01 -0.818652D+01
               181           182           183           184           185 
      1  -0.109509D+02 -0.112220D+01 -0.368331D+01 -0.191466D+01 -0.164820D+01
      2  -0.112220D+01 -0.110047D+01 -0.167540D+00 -0.164820D+01  0.252068D-01
      3  -0.368331D+01 -0.167540D+00 -0.216930D+01 -0.964184D-01 -0.609704D+00
               186           187           188           189           190 
      1  -0.964184D-01 -0.507313D+01  0.260358D-01 -0.274151D+01 -0.202341D+00
      2  -0.609704D+00  0.260358D-01 -0.596800D+00 -0.719208D+00  0.110999D+01
      3  -0.775189D+00 -0.274151D+01 -0.719208D+00 -0.223674D+01 -0.621864D+00
               191           192           193           194           195 
      1   0.110999D+01 -0.621864D+00  0.102625D+01 -0.660080D+00  0.228422D+00
      2  -0.370758D+00  0.224207D-01 -0.660080D+00  0.313913D+01 -0.231161D+01
      3   0.224207D-01 -0.237675D+00  0.228422D+00 -0.231161D+01  0.237093D+01
               196           197           198           199           200 
      1  -0.111574D+01  0.546575D+00 -0.481902D+00  0.594788D+01  0.384285D+00
      2   0.546575D+00 -0.348013D+01  0.315384D+01  0.384285D+00  0.184569D+01
      3  -0.481902D+00  0.315384D+01 -0.533101D+01  0.164885D+01  0.422109D+00
               201           202           203           204           205 
      1   0.164885D+01  0.302084D+00  0.986433D+00  0.211927D+00  0.192057D+01
      2   0.422109D+00  0.986433D+00  0.864170D+00  0.432836D+00  0.340527D+00
      3   0.137554D+01  0.211927D+00  0.432836D+00  0.767455D+00  0.100623D+01
               206           207           208           209           210 
      1   0.340527D+00  0.100623D+01 -0.616514D+01  0.354317D+01  0.257188D+01
      2   0.101099D+01  0.111044D+01  0.354317D+01 -0.314044D+01 -0.126936D+01
      3   0.111044D+01  0.135223D+01  0.257188D+01 -0.126936D+01 -0.172476D+01
               211           212           213           214           215 
      1   0.258137D+01 -0.268191D+01 -0.108167D+01  0.333427D+01 -0.187692D+01
      2  -0.268191D+01  0.271756D+01  0.119341D+01 -0.187692D+01  0.199458D+01
      3  -0.108167D+01  0.119341D+01  0.116367D+01 -0.228926D+01  0.198248D+01
               216           217           218           219           220 
      1  -0.228926D+01  0.626717D+01  0.427228D+00  0.131887D+01  0.478617D+00
      2   0.198248D+01  0.427228D+00  0.786907D+00 -0.182056D+00  0.358895D+00
      3   0.204776D+01  0.131887D+01 -0.182056D+00  0.233816D+01  0.325516D-01
               221           222           223           224           225 
      1   0.358895D+00  0.325516D-01  0.147562D+01 -0.967108D-01  0.140345D+01
      2  -0.415957D+00  0.482912D+00 -0.967108D-01  0.530564D+00  0.198541D+00
      3   0.482912D+00  0.739852D+00  0.140345D+01  0.198541D+00  0.267903D+01
               226           227           228           229           230 
      1  -0.107205D+01 -0.139698D+01  0.683120D+00 -0.203163D+01 -0.207861D+01
      2  -0.139698D+01 -0.141796D+01  0.745329D-01 -0.207861D+01 -0.850745D+01
      3   0.683120D+00  0.745329D-01 -0.423699D+00  0.432855D+00  0.853823D+00
               231           232           233           234           235 
      1   0.432855D+00  0.217230D+00 -0.830425D-01 -0.300265D+00 -0.687581D+01
      2   0.853823D+00 -0.830425D-01 -0.343443D+00 -0.756530D+00  0.978751D+00
      3  -0.126780D+01 -0.300265D+00 -0.756530D+00 -0.423011D-01  0.423559D+01
               236           237           238           239           240 
      1   0.978751D+00  0.423559D+01  0.241209D+01 -0.147982D+01 -0.145658D+01
      2  -0.123886D+01 -0.469878D+00 -0.147982D+01  0.481260D+00  0.877585D+00
      3  -0.469878D+00 -0.318059D+01 -0.145658D+01  0.877585D+00  0.180124D+01
               241           242           243           244           245 
      1   0.396337D+01 -0.581840D+00 -0.349813D+01 -0.722724D-01 -0.168009D+01
      2  -0.581840D+00  0.556340D+00  0.834600D+00 -0.168009D+01  0.897380D+00
      3  -0.349813D+01  0.834600D+00  0.395166D+01  0.424647D+00 -0.413609D+00
               246           247           248           249           250 
      1   0.424647D+00 -0.270669D+01  0.147383D+01 -0.747366D+00  0.604068D+00
      2  -0.413609D+00  0.147383D+01 -0.450522D+01  0.192826D+01 -0.576972D+00
      3   0.733778D+00 -0.747366D+00  0.192826D+01 -0.188032D+01  0.138730D+01
               251           252           253           254           255 
      1  -0.576972D+00  0.138730D+01 -0.699470D+01 -0.139306D+01 -0.575408D+01
      2   0.204952D+01 -0.148875D+01 -0.139306D+01  0.607022D+00 -0.500992D+00
      3  -0.148875D+01  0.247397D+01 -0.575408D+01 -0.500992D+00  0.124694D+01
               256           257           258           259           260 
      1   0.243551D+01  0.215487D+01  0.112533D+01 -0.314942D+01  0.458707D+00
      2   0.215487D+01 -0.142685D+01  0.358914D+01  0.458707D+00  0.336054D+01
      3   0.112533D+01  0.358914D+01  0.253917D+01  0.257858D+01  0.111270D+01
               261           262           263           264           265 
      1   0.257858D+01  0.402328D+01 -0.129743D+01 -0.278580D+01  0.402633D+00
      2   0.111270D+01 -0.129743D+01  0.106768D+01  0.814553D+00  0.483165D+00
      3  -0.875880D+00 -0.278580D+01  0.814553D+00  0.267260D+01 -0.432747D+00
               266           267           268           269           270 
      1   0.483165D+00 -0.432747D+00 -0.393641D+01  0.120564D+01  0.378258D+01
      2  -0.655643D+00 -0.424286D+00  0.120564D+01 -0.140142D+01 -0.137731D+01
      3  -0.424286D+00  0.347213D+00  0.378258D+01 -0.137731D+01 -0.483277D+01
               271           272           273           274           275 
      1   0.346175D+00  0.903672D+00  0.157693D+00  0.142242D+01  0.511951D-01
      2   0.903672D+00 -0.675893D+00  0.204651D-01  0.511951D-01  0.581511D+01
      3   0.157693D+00  0.204651D-01 -0.331616D+00  0.232296D+00 -0.523411D+00
               276           277           278           279           280 
      1   0.232296D+00 -0.709557D+00 -0.981733D-01 -0.460297D+00  0.109756D+02
      2  -0.523411D+00 -0.981733D-01 -0.186903D+01  0.430344D+00  0.193441D+01
      3   0.121455D+01 -0.460297D+00  0.430344D+00 -0.124356D+01  0.491458D+01
               281           282           283           284           285 
      1   0.193441D+01  0.491458D+01  0.449678D+00  0.122523D+01  0.253697D+00
      2   0.150214D+01  0.120219D+01  0.122523D+01  0.630522D+00  0.414664D+00
      3   0.120219D+01  0.334384D+01  0.253697D+00  0.414664D+00 -0.117418D+00
               286           287           288           289           290 
      1   0.359740D+01  0.717085D+00  0.286191D+01 -0.186145D+01  0.170166D+00
      2   0.717085D+00  0.268525D+00  0.615565D+00  0.170166D+00 -0.906944D+00
      3   0.286191D+01  0.615565D+00  0.284577D+01  0.229321D+01 -0.573214D+00
               291           292           293           294           295 
      1   0.229321D+01 -0.525371D+00 -0.607126D+00 -0.135848D+00  0.202285D+01
      2  -0.573214D+00 -0.607126D+00  0.175851D+00  0.462104D+00 -0.955879D-01
      3  -0.336359D+01 -0.135848D+00  0.462104D+00 -0.735895D+00 -0.167714D+01
               296           297 
      1  -0.955879D-01 -0.167714D+01
      2   0.671314D+00  0.600320D+00
      3   0.600320D+00  0.621885D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.103716D+01  0.302179D+01 -0.157053D+00  0.455038D+01  0.954872D+00
      2   0.470526D+01 -0.430026D+01  0.444064D+01 -0.649842D+00 -0.499087D+01
      3  -0.122329D+02 -0.711539D+01  0.261923D+01 -0.336598D+00 -0.179701D+01
                 6             7             8             9            10 
      1  -0.213030D+01  0.488409D+01  0.290208D+01  0.767766D+00 -0.400009D+01
      2   0.169382D+01 -0.108612D+02 -0.327455D+01  0.826594D+00 -0.698085D+01
      3   0.124910D+01  0.520586D+01  0.809412D+00 -0.272450D+00  0.172551D+02
                11            12            13            14            15 
      1  -0.208008D+01  0.558965D+00 -0.897107D+01  0.449774D+01 -0.138024D+01
      2   0.134751D+01 -0.183039D+01  0.577217D+01  0.422695D+01 -0.204521D+01
      3   0.104777D+01  0.153385D+01  0.176980D+02  0.213392D+01  0.160316D+01
                16            17            18            19            20 
      1   0.293510D+01  0.614442D+01 -0.529160D+01  0.247661D+00 -0.718770D+00
      2  -0.143501D+02 -0.184631D+01  0.647501D-01  0.412071D+01 -0.792458D+00
      3  -0.596176D+00  0.132454D+01  0.904897D+00  0.495612D+01 -0.447027D+01
                21            22            23            24            25 
      1  -0.104341D+00 -0.164095D+01 -0.166689D+01 -0.281006D+01 -0.620227D+01
      2   0.110583D+01 -0.530263D+01  0.163091D+01 -0.552517D+00 -0.106265D+02
      3   0.273422D+01  0.206337D+00  0.347924D+00 -0.118044D+01  0.857226D+01
                26            27            28            29            30 
      1   0.182226D+01 -0.399763D+01  0.201390D+01 -0.411637D+01  0.331481D+01
      2   0.176276D+01 -0.286823D+01  0.529416D+01  0.200148D+01  0.511867D+00
      3  -0.136369D+01  0.433111D+01 -0.135966D+02  0.245085D+00 -0.388396D+01
                31            32            33            34            35 
      1  -0.638219D+01  0.396129D+01 -0.965990D+00  0.709709D+01  0.643154D+01
      2   0.424520D+01  0.466139D+01  0.127954D+01 -0.867572D+01 -0.938165D+00
      3   0.190879D+02  0.359645D+01  0.161015D+01 -0.729510D+01  0.588278D+00
                36            37            38            39            40 
      1  -0.200046D+01 -0.345102D+01  0.990171D+00 -0.976400D+00  0.602029D+00
      2  -0.491750D+01  0.847382D+00 -0.427046D+01  0.391869D+01 -0.955173D+00
      3  -0.572025D+01  0.477387D+01 -0.432655D+01  0.531102D+01  0.130468D+02
                41            42            43            44            45 
      1   0.458888D+00 -0.216324D+01  0.328543D+01  0.189548D+01  0.395245D+01
      2  -0.389881D+01 -0.142057D+00 -0.993857D+01 -0.307197D+01  0.960465D+00
      3   0.273494D+00  0.338911D+01  0.437230D+01  0.354238D+00  0.778568D+00
                46            47            48            49            50 
      1   0.423628D+01  0.979779D+00 -0.172740D+01 -0.450063D+01 -0.534172D+00
      2   0.591273D+01 -0.114484D+01  0.147337D+01 -0.715419D+01  0.179216D+01
      3  -0.694225D+01 -0.413333D+01 -0.162761D+01  0.966591D+01 -0.919033D+00
                51            52            53            54            55 
      1  -0.357076D+01 -0.571635D+01  0.250336D+01 -0.151547D+01  0.262980D+01
      2  -0.279506D-01 -0.659507D+01  0.279743D+01 -0.303037D+01  0.215210D+02
      3   0.149335D+01 -0.580905D+01 -0.293906D+01  0.113553D+01 -0.155950D+02
                56            57            58            59            60 
      1  -0.629991D+00 -0.123355D+01 -0.380156D+01 -0.674611D+01 -0.726910D+01
      2  -0.480844D+01 -0.303037D+01 -0.938818D+01 -0.906214D+00  0.109420D+02
      3   0.496827D+01  0.351350D+01  0.231558D+02  0.138975D+02  0.652695D+01
                61            62            63            64            65 
      1  -0.177350D+01 -0.925647D+00  0.719028D+01 -0.233344D+01 -0.112937D+00
      2  -0.266770D+02  0.107459D+02 -0.107935D+02 -0.323686D+02  0.474438D+01
      3   0.899675D+01  0.232269D+01 -0.112634D+02  0.188121D+02 -0.886746D+01
                66            67            68            69            70 
      1   0.420372D+00  0.406092D+01  0.497106D+00 -0.418728D+01 -0.173757D+00
      2   0.325931D+01  0.107240D+02  0.775455D+00 -0.137524D+02  0.396231D+01
      3  -0.291761D+01 -0.295714D+01 -0.199477D+02 -0.377945D+01 -0.117004D+02
                71            72            73            74            75 
      1   0.345972D+01 -0.423384D+00  0.914316D+01 -0.294292D+01 -0.951098D+00
      2  -0.153651D+02  0.635838D+01  0.198718D+02 -0.460822D+01  0.110614D+01
      3  -0.433701D+01  0.156979D+02 -0.167271D+02 -0.323440D+01 -0.414438D+01
                76            77            78            79            80 
      1  -0.190968D+01 -0.260684D+01  0.582147D+01 -0.320701D+01  0.131997D+02
      2  -0.374423D+01 -0.330873D+01  0.134348D+02 -0.578369D+01  0.168649D+02
      3  -0.209072D+01  0.153288D+02  0.574092D+01 -0.520194D+01  0.827281D+01
                81            82            83            84            85 
      1  -0.585239D+01 -0.600863D+01  0.295122D+01  0.274417D+01  0.531768D+01
      2  -0.100432D+02  0.247435D+02 -0.237471D+01  0.804563D+01 -0.465820D+01
      3  -0.168118D+02 -0.887661D+01  0.490769D+01  0.871842D+01  0.117077D+02
                86            87            88            89            90 
      1   0.116399D+02 -0.506776D+01  0.338146D+01  0.169344D+01 -0.454531D+01
      2  -0.308160D+01  0.108480D+02  0.577069D+01  0.108339D+02 -0.362909D+01
      3   0.259847D+02  0.440261D+00  0.120094D+02  0.451311D+01 -0.131541D+02
                91            92            93            94            95 
      1  -0.171050D+01 -0.202815D+01  0.386401D-01 -0.556130D+01  0.198571D+01
      2   0.109415D+02 -0.521355D+00 -0.752809D+00 -0.317321D+01 -0.102726D+02
      3  -0.164781D+01 -0.118222D+01  0.721697D+00  0.146104D+02 -0.614714D+01
                96            97            98            99           100 
      1  -0.865129D+01  0.149517D+01  0.190541D+00 -0.462523D-01  0.189204D+01
      2  -0.390708D+01 -0.292611D+02 -0.190126D+01  0.428540D+00 -0.218889D+02
      3   0.139060D+02  0.335037D+01  0.112979D+02  0.297202D+01  0.450839D+01
               101           102           103           104           105 
      1   0.572298D+01  0.254244D+01  0.352212D+01  0.205276D+01  0.488233D+01
      2   0.266019D+01  0.768998D+01  0.777941D+01  0.725221D+01 -0.685133D+01
      3   0.666726D+00 -0.119011D+01  0.557643D+01  0.135232D+02 -0.899303D+01
               106           107           108           109           110 
      1  -0.960147D+00  0.455195D+01  0.216907D+00 -0.138937D+01 -0.279144D+01
      2  -0.120230D+01 -0.250513D+01  0.756803D+01  0.450406D+00 -0.136790D+01
      3  -0.884237D+00 -0.155937D+02  0.672381D+00 -0.110230D+02 -0.114212D+02
               111           112           113           114           115 
      1  -0.305031D+01 -0.195932D+00 -0.555064D+01 -0.717321D+01 -0.616341D+00
      2   0.548772D+01 -0.857337D+01 -0.713567D+01  0.127347D+02  0.574968D+01
      3   0.153019D+01 -0.434755D+01 -0.329750D+02  0.520025D+01 -0.991266D+00
               116           117           118           119           120 
      1   0.312962D+01  0.113359D+01  0.299638D+01 -0.992606D+00 -0.126843D+01
      2   0.905238D+01 -0.124624D+02  0.842399D+01 -0.338416D+01 -0.625695D+01
      3   0.112329D+02 -0.868038D+01  0.503775D+01 -0.229012D+01 -0.507935D-01
               121           122           123           124           125 
      1   0.297083D+01  0.343812D+01 -0.693511D+01 -0.229819D+01  0.200774D+01
      2   0.298036D+01 -0.452269D+01 -0.583233D+01 -0.828374D+01 -0.283671D+01
      3   0.641981D+00  0.185051D+02  0.347231D+01  0.203969D+01  0.144128D+01
               126           127           128           129           130 
      1   0.290996D+01 -0.107330D+01  0.105510D+01  0.102444D+01  0.145208D+01
      2   0.738390D+01 -0.331579D+01  0.114883D+01 -0.111020D+00  0.213872D+01
      3   0.526708D+01 -0.323590D+01  0.609259D+00 -0.420343D+00  0.257325D+01
               131           132           133           134           135 
      1  -0.333790D+01 -0.120125D+01 -0.111843D+01  0.378442D+01 -0.355355D-01
      2   0.175067D+00 -0.157565D+01 -0.377460D+01  0.369874D+00  0.971181D+00
      3   0.125159D+01 -0.557134D+00 -0.203912D+01 -0.855329D+00  0.109225D+00
               136           137           138           139           140 
      1  -0.153012D+01 -0.234997D+01 -0.141129D+01 -0.121962D+01 -0.172208D+01
      2   0.437355D+01  0.187255D+01  0.587086D+00  0.221873D+01  0.140431D+01
      3   0.620589D+01  0.756111D+00 -0.566990D+00  0.438058D+01 -0.900701D+00
               141           142           143           144           145 
      1  -0.262975D+01  0.115655D+00  0.190300D+01  0.133121D+00  0.159678D+01
      2   0.120238D+01 -0.108085D+01 -0.521546D+00 -0.698406D+00 -0.123040D+01
      3  -0.151504D+00  0.488356D+00  0.117683D+01  0.379397D-01 -0.445239D+01
               146           147           148           149           150 
      1  -0.332526D+00  0.261849D+01 -0.703349D+00  0.411188D+00 -0.441093D+01
      2   0.202845D+00  0.381980D+00  0.959631D+00  0.474362D+00 -0.181191D+01
      3   0.101298D+01 -0.190788D+01  0.361541D+01 -0.254486D+00  0.929185D+00
               151           152           153           154           155 
      1   0.676626D+00  0.103832D+01  0.236470D+01  0.103042D+01 -0.684902D+00
      2  -0.248203D+01 -0.821934D-01  0.641606D+00  0.146753D+01  0.597631D+00
      3  -0.325068D+01  0.767300D+00 -0.125942D+01  0.725515D+01  0.856906D+00
               156           157           158           159           160 
      1  -0.208729D+01  0.159723D+01  0.162008D+01 -0.389932D+01 -0.469169D+00
      2   0.914614D+00  0.528089D-01  0.201588D+00  0.178364D+01 -0.124902D+01
      3  -0.113143D+01  0.518733D+01 -0.104106D+01 -0.567703D+00 -0.218641D-02
               161           162           163           164           165 
      1   0.740859D+00  0.839463D+00  0.215204D+01  0.183650D+01 -0.460910D-01
      2   0.108847D+00 -0.530115D+00 -0.311594D+01 -0.241049D+00  0.298536D+01
      3   0.121336D+01  0.975870D-01 -0.465887D+01 -0.507683D+01 -0.206371D+01
               166           167           168           169           170 
      1   0.261205D+01  0.920119D+01 -0.278722D+00  0.687622D+00  0.170210D+01
      2  -0.130940D+01  0.362433D+01  0.402971D+01  0.270903D+01  0.245415D+01
      3  -0.280246D+01 -0.215328D+02 -0.741843D+01 -0.344176D+01 -0.314726D+01
               171           172           173           174           175 
      1   0.957649D-01 -0.195952D+01  0.842467D+00 -0.575630D+00  0.152274D+01
      2   0.378234D+01  0.314673D+01  0.643940D+00  0.218702D+01  0.246011D+01
      3  -0.304262D+01  0.449211D+01 -0.305904D+01  0.107714D+01 -0.333090D+01
               176           177           178           179           180 
      1  -0.255258D+01  0.301846D+01 -0.171081D+01  0.527790D+01 -0.662947D+01
      2   0.350955D+01 -0.774419D+01  0.200195D+01 -0.345742D+01  0.235012D+02
      3   0.242639D+01 -0.563025D+01  0.174067D+01 -0.418409D+01  0.662426D+01
               181           182           183           184           185 
      1   0.386576D+00  0.104806D+01 -0.718705D-02  0.315407D+00  0.393598D-01
      2   0.933818D+01 -0.542722D-01  0.103929D+02 -0.112871D+01  0.174799D+01
      3  -0.412943D+01 -0.774602D+01 -0.330284D+00 -0.536504D+01  0.678824D+00
               186           187           188           189           190 
      1  -0.663466D+00 -0.189657D-01  0.154146D+01  0.265412D+00  0.983806D+00
      2   0.367826D+01  0.675916D+01  0.358447D+01  0.860341D+01  0.268637D+01
      3  -0.255658D+01  0.120468D+01 -0.317647D+01 -0.330405D+01  0.578641D+01
               191           192           193           194           195 
      1   0.497539D-01  0.992649D-01 -0.168198D+00  0.326751D+01 -0.631341D+01
      2   0.163521D+00  0.104277D+01  0.877589D-01  0.858689D+01 -0.894012D+01
      3  -0.216322D+00 -0.120763D+01  0.119498D+01  0.114754D+02 -0.945999D+01
               196           197           198           199           200 
      1   0.215006D+00 -0.337047D+01  0.118827D+02 -0.318395D+01  0.704541D-01
      2  -0.130984D+01 -0.115618D+02  0.206010D+02 -0.898722D+01 -0.155401D+01
      3  -0.139617D+01 -0.139663D+02  0.130685D+02  0.195346D+02  0.689026D+01
               201           202           203           204           205 
      1  -0.354922D+01 -0.297883D+00 -0.941876D+00 -0.231115D+01 -0.264098D+01
      2  -0.419813D+01 -0.758291D+00 -0.201072D+01 -0.240565D+01 -0.631496D+01
      3   0.578467D+01  0.755461D+01  0.463173D+01  0.276638D+01  0.586406D+01
               206           207           208           209           210 
      1  -0.660015D+00 -0.272655D+01 -0.569141D+01  0.187458D+01  0.482410D+01
      2  -0.409374D+01 -0.462163D+01 -0.102554D+02  0.509691D+01  0.886808D+01
      3   0.430896D+01  0.722807D+01  0.272325D+01 -0.876500D+01 -0.147246D+00
               211           212           213           214           215 
      1   0.279007D+01 -0.208340D+01 -0.388771D+01  0.488191D+01 -0.251897D+01
      2   0.368986D+01 -0.483617D+01 -0.552701D+01  0.786098D+01 -0.807234D+01
      3  -0.383570D+01  0.687803D+01  0.253759D+01 -0.330033D-01  0.579518D+01
               216           217           218           219           220 
      1  -0.480022D+01  0.603139D+00  0.233292D+01  0.110892D+01  0.130711D+01
      2  -0.910750D+01 -0.209988D+02  0.323018D+00 -0.114020D+02 -0.176707D+00
      3   0.440074D+01 -0.430126D+01  0.181919D+01 -0.200095D+01  0.370914D+01
               221           222           223           224           225 
      1  -0.159504D+00  0.195034D-01  0.877328D+00  0.207851D+01  0.190180D+01
      2  -0.278056D+01 -0.305508D+01 -0.117561D+02 -0.896283D+00 -0.132719D+02
      3  -0.202513D+01  0.160577D+01 -0.203414D+01  0.117085D+01 -0.628176D+00
               226           227           228           229           230 
      1  -0.133343D+01 -0.192230D+01 -0.582683D+00 -0.205735D+01 -0.123191D+02
      2  -0.280521D+01  0.116736D+01  0.165351D+01  0.828692D+00 -0.265877D+01
      3  -0.570176D+01 -0.533776D+01 -0.125090D+00 -0.324175D+01 -0.356112D+02
               231           232           233           234           235 
      1  -0.314206D+01 -0.232346D+00 -0.172816D+00 -0.113009D+01  0.482439D+01
      2   0.562863D+01 -0.404253D+00  0.304973D+01  0.828673D+00 -0.890852D+01
      3   0.285648D+01 -0.263950D+00 -0.167710D+01 -0.291122D+01  0.885955D+01
               236           237           238           239           240 
      1  -0.370799D+01 -0.289565D+01 -0.306615D+01  0.188422D+01  0.131727D+01
      2   0.438379D+00  0.102904D+02  0.255448D+01 -0.201336D+01 -0.683475D+01
      3  -0.846402D+01 -0.488210D+01 -0.722767D+01  0.347508D+01  0.440102D+01
               241           242           243           244           245 
      1  -0.394327D+01  0.317282D+01  0.364480D+01 -0.212008D+01  0.111005D+01
      2   0.732069D+01 -0.274593D+01 -0.137760D+02  0.147588D+01  0.275859D+00
      3  -0.534245D+01  0.393405D+01  0.602447D+01  0.547352D+01 -0.267935D+01
               246           247           248           249           250 
      1  -0.289722D+00  0.114199D+01 -0.533114D+01 -0.512495D+00 -0.646807D+00
      2   0.247913D+01  0.529859D+00  0.476468D+01 -0.463422D+01  0.186824D+01
      3   0.151910D+01 -0.273350D-01  0.134959D+02 -0.556165D+01  0.123101D+01
               251           252           253           254           255 
      1   0.308698D+01 -0.565642D+00  0.387626D+01  0.359182D+01 -0.366799D+01
      2  -0.379113D+01  0.578111D+01 -0.444909D+01  0.987289D+00  0.178848D+02
      3  -0.648542D+01  0.403929D+01 -0.442593D+01 -0.688214D+01 -0.605617D+01
               256           257           258           259           260 
      1   0.391539D+01 -0.985217D+01  0.360594D+01 -0.995995D+00  0.959428D+01
      2   0.189043D+01  0.876190D+01  0.624804D+01  0.137413D+02  0.328951D+01
      3  -0.662946D+01  0.666022D+01 -0.126383D+02 -0.711580D+01 -0.114327D+02
               261           262           263           264           265 
      1   0.574851D+01 -0.253242D+01 -0.407269D+00  0.288272D+01 -0.180617D+00
      2  -0.705680D+01 -0.747445D+01  0.321509D+01  0.926065D+01 -0.140006D+01
      3  -0.205298D+01  0.829488D+00 -0.350919D+01 -0.264166D+00 -0.121129D+01
               266           267           268           269           270 
      1  -0.623074D+00  0.133423D-01  0.380728D+01  0.373423D+00 -0.491270D+01
      2  -0.135595D+01  0.143234D+01  0.106255D+02 -0.447150D+01 -0.176568D+02
      3   0.151524D+01  0.154706D+01 -0.372389D+00  0.478805D+01  0.148025D+01
               271           272           273           274           275 
      1   0.272626D+01 -0.184615D+01  0.108861D+01 -0.993346D+00  0.136841D+02
      2   0.892908D-01 -0.121328D+01 -0.855444D+00 -0.147677D+01 -0.137510D+01
      3  -0.372666D+01  0.283835D+01 -0.712353D+00  0.391347D+01 -0.174834D+02
               276           277           278           279           280 
      1  -0.568161D+01  0.108236D+01 -0.409466D+01  0.520788D+01 -0.131112D+01
      2   0.291139D+01 -0.162901D+01  0.132323D+01 -0.296849D+01 -0.580534D+01
      3   0.250593D+01 -0.246717D+01  0.605177D+01 -0.218617D+01  0.530962D+01
               281           282           283           284           285 
      1   0.312203D+01 -0.168472D+01  0.220276D+01  0.136369D+01 -0.377983D+00
      2   0.691244D+00  0.396631D+01 -0.152763D+00 -0.113449D+01 -0.522634D+00
      3  -0.538074D+01  0.843649D+00 -0.209324D+01 -0.128694D+01 -0.419629D+00
               286           287           288           289           290 
      1  -0.191831D+01  0.923968D+00 -0.203828D+01 -0.274763D+01 -0.293530D+01
      2   0.746182D+00  0.407429D+00  0.427044D+01  0.130233D+02 -0.133565D+01
      3   0.207672D+01 -0.112492D+01  0.925591D+00 -0.360379D+01  0.171437D+01
               291           292           293           294           295 
      1   0.300012D+01 -0.207968D+01 -0.537241D+00  0.551907D+00  0.228484D+01
      2  -0.131126D+02  0.108954D+01  0.269257D+01 -0.168517D+01 -0.113109D+02
      3   0.412127D+01  0.242145D+01 -0.107754D+01 -0.102143D+01  0.308492D+01
               296           297 
      1   0.241714D+01 -0.614122D+01
      2   0.170837D+01  0.210148D+02
      3  -0.108049D+01 -0.450837D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.670063D+00  0.156787D+02 -0.572093D+01 -0.238138D+02  0.159746D+02
      2   0.548400D+01 -0.140495D+02  0.786756D+01  0.157307D+02 -0.536697D+01
      3  -0.481394D+01 -0.162913D+01 -0.214663D+01  0.808311D+01 -0.106076D+02
      4   0.131085D+02  0.485612D+01  0.612388D+01  0.157430D+02  0.478233D+00
      5  -0.886702D+01  0.790391D+01 -0.624397D+01 -0.624842D+01 -0.265984D+01
      6   0.902058D+01  0.256050D+01  0.835639D-02 -0.480598D+01  0.961689D+01
                 6             7             8             9            10 
      1  -0.131444D+02  0.890230D+01  0.290160D+01 -0.971157D+01  0.516159D+02
      2   0.696264D+01 -0.759079D+01  0.230189D+01 -0.932954D+01 -0.271916D+02
      3   0.618174D+01 -0.131151D+01 -0.520349D+01  0.190411D+02 -0.244243D+02
      4  -0.296685D+01  0.876081D+01 -0.725866D+01  0.325529D+01 -0.411910D+01
      5  -0.208692D+01  0.342642D+01  0.312141D+01 -0.162728D+01  0.533138D+01
      6  -0.632485D+01  0.602076D+01 -0.102949D+01  0.429546D+01  0.752850D+00
                11            12            13            14            15 
      1  -0.326965D+01  0.505019D+01 -0.129736D+02 -0.179381D+02  0.732337D+01
      2   0.619449D+01 -0.499755D+01  0.354288D+01  0.135119D+02 -0.115529D+02
      3  -0.292484D+01 -0.526437D-01  0.943077D+01  0.442625D+01  0.422949D+01
      4   0.705617D+01 -0.401350D+01 -0.127152D+02  0.212619D+01  0.386862D-02
      5  -0.341828D+01  0.214113D+01  0.133250D+02 -0.147417D+01  0.196745D+01
      6   0.140178D+01 -0.647647D+00 -0.241754D+01 -0.507023D+01  0.558320D+01
                16            17            18            19            20 
      1   0.166821D+01  0.891585D+01 -0.756218D+01  0.438369D+00 -0.156883D+02
      2  -0.321628D+01 -0.411279D+01 -0.789283D+00 -0.882057D+01  0.738049D+01
      3   0.154807D+01 -0.480305D+01  0.835146D+01  0.838220D+01  0.830782D+01
      4   0.154814D+02  0.272686D+01  0.150204D+00 -0.161280D+02 -0.709783D+01
      5   0.790338D+01  0.730112D+00  0.379405D+01  0.344909D+01 -0.362360D+01
      6   0.947961D+01  0.111311D+02  0.521733D+01 -0.573028D+01 -0.590558D+01
                21            22            23            24            25 
      1   0.128783D+02  0.171828D+02  0.298654D+01 -0.337572D+01 -0.102525D+02
      2  -0.286554D+01 -0.116944D+02 -0.299976D+01  0.379707D+01  0.110232D+02
      3  -0.100127D+02 -0.548846D+01  0.132188D-01 -0.421352D+00 -0.770664D+00
      4  -0.162186D+01  0.697106D+01 -0.514262D+01  0.603054D+01 -0.926111D+01
      5   0.708398D+01  0.280946D+01  0.740281D+01 -0.235800D+01  0.832560D+01
      6   0.124477D+01  0.124753D+02  0.857226D+01  0.444277D+01 -0.769998D+01
                26            27            28            29            30 
      1  -0.149948D+02  0.449983D+00  0.556891D+01  0.217097D+01  0.145454D+01
      2   0.151340D+02 -0.554630D+01 -0.600454D+01 -0.326046D+01 -0.201770D+01
      3  -0.139173D+00  0.509632D+01  0.435625D+00  0.108948D+01  0.563163D+00
      4  -0.101932D+01 -0.340441D+01 -0.199792D+01  0.580290D+01 -0.105499D+01
      5  -0.222704D+01 -0.487172D+01  0.348314D+01 -0.896487D+00  0.387236D+01
      6  -0.313496D+00  0.294995D+00  0.643709D+01  0.159188D+01 -0.180173D+01
                31            32            33            34            35 
      1  -0.869851D+01 -0.184995D+02  0.591486D+01 -0.756056D+01  0.898274D+01
      2  -0.128951D+01  0.114440D+02 -0.125648D+02  0.190401D+01 -0.695543D+01
      3   0.998803D+01  0.705545D+01  0.664998D+01  0.565656D+01 -0.202731D+01
      4  -0.127696D+02 -0.245048D+01  0.583876D-01  0.165694D+02  0.409491D+01
      5   0.132645D+02  0.200848D+00  0.624856D+01  0.121136D+02  0.259140D+01
      6  -0.689583D+01 -0.711085D+01  0.425857D+01  0.400815D+01  0.987857D+01
                36            37            38            39            40 
      1  -0.392331D+01  0.976780D+01  0.215911D+02 -0.296925D+01 -0.135447D+02
      2   0.816410D-01  0.175336D+01 -0.202230D+02  0.591126D+01  0.127602D+02
      3   0.384167D+01 -0.115212D+02 -0.136809D+01 -0.294201D+01  0.784495D+00
      4   0.199093D+01  0.981282D+01 -0.735918D+00  0.611143D+01  0.111495D+02
      5  -0.113064D+01 -0.835508D+01  0.865245D+01 -0.658983D+01 -0.116571D+01
      6   0.300259D+01  0.641395D+01 -0.174587D+01 -0.487582D+00 -0.767112D+01
                41            42            43            44            45 
      1   0.869913D+01 -0.116025D+02  0.749769D+01 -0.258539D+01 -0.770290D+01
      2   0.855586D+00  0.102815D+02 -0.993589D+01  0.693321D+01 -0.623942D+01
      3  -0.955472D+01  0.132101D+01  0.243820D+01 -0.434782D+01  0.139423D+02
      4   0.177219D+01 -0.448923D+01  0.444769D+01 -0.110206D+02  0.411363D+01
      5  -0.388816D+01 -0.382698D+01  0.745166D+01  0.359478D+01 -0.187666D+01
      6   0.128986D+02 -0.676113D+01  0.505803D+01  0.101074D+01 -0.335718D+00
                46            47            48            49            50 
      1  -0.361776D+01 -0.165612D+02  0.787005D+01  0.239555D+02 -0.333511D+01
      2  -0.623813D+01  0.839976D+01 -0.440646D+01 -0.185397D+02  0.181946D+01
      3   0.985589D+01  0.816143D+01 -0.346359D+01 -0.541577D+01  0.151565D+01
      4  -0.123672D+02 -0.957549D+01 -0.116907D+01  0.146626D+01 -0.640627D+01
      5  -0.101702D+01 -0.370748D+01  0.856252D+01  0.673672D+01  0.629533D+01
      6  -0.420949D+01 -0.809186D+01  0.440231D+01  0.110992D+02  0.121778D+02
                51            52            53            54            55 
      1  -0.301103D+01 -0.259371D+02 -0.213870D+02  0.114674D+01 -0.459025D+02
      2   0.450288D+01  0.159906D+02  0.230043D+02 -0.286106D+01  0.193660D+02
      3  -0.149185D+01  0.994652D+01 -0.161737D+01  0.171432D+01  0.265365D+02
      4   0.616967D+01 -0.892958D+01  0.202731D+01  0.251724D+00  0.117550D+02
      5  -0.492967D+00  0.103370D+02 -0.173160D+01 -0.314869D+01  0.176664D+02
      6   0.584252D+01 -0.369210D+01  0.512536D+01  0.685564D+00  0.175076D+01
                56            57            58            59            60 
      1   0.109741D+02  0.141137D+02  0.237452D+02 -0.410517D+01 -0.991380D+01
      2  -0.580530D+01 -0.631707D+01 -0.182960D+02 -0.355126D+01 -0.612723D+01
      3  -0.516880D+01 -0.779659D+01 -0.544920D+01  0.765643D+01  0.160410D+02
      4  -0.152142D+02 -0.648674D+01 -0.257774D+02 -0.370465D+02 -0.159228D+02
      5  -0.692334D+01 -0.963759D+01 -0.990475D+01 -0.152237D+02  0.174126D+02
      6  -0.388516D+01 -0.174639D+01 -0.108961D+02 -0.141471D+02 -0.638364D+01
                61            62            63            64            65 
      1   0.388433D+02 -0.111313D+02  0.267283D+01 -0.417145D+02 -0.231215D+02
      2  -0.115527D+02 -0.220018D+01  0.147494D+02  0.253966D+02  0.996083D+01
      3  -0.272906D+02  0.133315D+02 -0.174223D+02  0.163179D+02  0.131606D+02
      4  -0.103091D+02 -0.699226D+01  0.143899D+02 -0.243006D+02  0.107485D+02
      5  -0.208716D+02  0.143426D+02 -0.308428D+02 -0.572818D+02  0.503791D+01
      6  -0.222724D+01 -0.329949D+01  0.478940D+01  0.315133D+00  0.424592D+00
                66            67            68            69            70 
      1  -0.529502D+02 -0.424162D+02  0.997376D+01  0.515222D+01 -0.854295D+02
      2   0.259855D+02  0.250092D+02 -0.102844D+02 -0.424573D+01  0.414600D+02
      3   0.269647D+02  0.174070D+02  0.310687D+00 -0.906496D+00  0.439695D+02
      4   0.601985D+01  0.856937D+01  0.371095D+02  0.548868D+01  0.132510D+02
      5  -0.585283D+01  0.845158D+01  0.399922D+01 -0.263257D+02 -0.769716D+01
      6   0.992879D+00  0.165889D+01 -0.182001D+00  0.160278D+00 -0.239511D+01
                71            72            73            74            75 
      1   0.912803D+01 -0.138291D+02  0.804377D+01  0.262706D+02  0.366542D+02
      2  -0.574897D+01  0.981516D+01 -0.121296D+02 -0.885224D+01 -0.162490D+02
      3  -0.337906D+01  0.401393D+01  0.408579D+01 -0.174184D+02 -0.204052D+02
      4   0.911260D+01 -0.279202D+02  0.259154D+02 -0.249954D+02 -0.218406D+02
      5  -0.282425D+02  0.102940D+02  0.368790D+02 -0.133644D+02 -0.498501D+01
      6   0.118643D+01  0.161951D+01 -0.179022D+02  0.457788D+01  0.102935D+00
                76            77            78            79            80 
      1   0.297801D+02 -0.151828D+02 -0.115274D+02  0.472599D+02 -0.191676D+02
      2  -0.130971D+02  0.182261D+02  0.740513D+01 -0.204997D+02  0.109643D+02
      3  -0.166830D+02 -0.304328D+01  0.412225D+01 -0.267603D+02  0.820333D+01
      4  -0.179357D+02 -0.164080D+02 -0.448608D+01 -0.270041D+02 -0.543940D+01
      5  -0.941260D+01 -0.462877D+01  0.277860D+02 -0.102030D+02  0.348656D+02
      6   0.342699D+01  0.518194D+01 -0.142559D+02  0.465350D+01 -0.169427D+02
                81            82            83            84            85 
      1   0.549168D+01  0.433946D+01  0.167089D+02  0.484773D+02  0.256929D+02
      2  -0.104656D+02  0.132485D+02 -0.123070D+02 -0.251790D+02 -0.211211D+02
      3   0.497391D+01 -0.175879D+02 -0.440190D+01 -0.232983D+02 -0.457185D+01
      4   0.353541D+02  0.181697D+02 -0.103623D+02 -0.526366D+01 -0.144948D+02
      5  -0.204651D+02  0.446269D+02 -0.108927D+02 -0.212306D+02 -0.213358D+02
      6   0.114399D+02 -0.307782D+01  0.239985D+01  0.303617D+01  0.314773D+01
                86            87            88            89            90 
      1  -0.995465D+01 -0.121450D+02  0.566261D+02 -0.752932D+01 -0.725098D+01
      2  -0.983210D+01  0.126678D+02 -0.303764D+02  0.928486D+01  0.497690D+01
      3   0.197867D+02 -0.522841D+00 -0.262497D+02 -0.175554D+01  0.227408D+01
      4  -0.560956D+02 -0.311832D+01 -0.944877D+01 -0.105487D+02  0.240189D+02
      5   0.555621D+00  0.268320D+02 -0.179622D+02  0.249440D+02 -0.169679D+01
      6   0.101065D+02  0.293126D+01  0.480944D+01  0.354797D+01 -0.839383D+01
                91            92            93            94            95 
      1   0.812913D+01  0.801691D+01  0.151672D+02  0.498658D+01  0.455932D+01
      2  -0.667541D+01 -0.397577D+01 -0.448887D+01  0.100252D+01  0.288276D+01
      3  -0.145372D+01 -0.404114D+01 -0.106783D+02 -0.598910D+01 -0.744208D+01
      4   0.750772D+01 -0.448893D+01  0.313187D+00 -0.129501D+02  0.134488D+02
      5   0.120414D+02  0.263280D+00 -0.672792D+01 -0.845949D+01 -0.254161D+02
      6   0.142545D+01 -0.464993D+01 -0.393434D+00 -0.125973D+02  0.500410D+01
                96            97            98            99           100 
      1   0.335278D+01  0.313173D+02  0.110885D+01 -0.103997D+02 -0.780100D+01
      2   0.302415D+01 -0.123546D+02 -0.264003D+00  0.557250D+01  0.170151D+01
      3  -0.637693D+01 -0.189627D+02 -0.844846D+00  0.482717D+01  0.609948D+01
      4  -0.246785D+02 -0.810043D+01 -0.203718D+02 -0.122401D+01 -0.145636D+02
      5  -0.837768D+01 -0.298405D+02 -0.845117D+00 -0.403527D+01  0.470989D+01
      6  -0.158247D+02 -0.358303D+01 -0.115976D+02 -0.395736D+01  0.118945D+01
               101           102           103           104           105 
      1  -0.100823D+02 -0.444097D+01 -0.255673D+02 -0.129496D+02  0.909091D+01
      2   0.501253D+01  0.364257D-02  0.156747D+02  0.651425D+00 -0.940982D+01
      3   0.506974D+01  0.443733D+01  0.989260D+01  0.122981D+02  0.318906D+00
      4  -0.158488D+02  0.218353D+01 -0.288385D+02 -0.221718D+02  0.170005D+02
      5   0.258005D+01  0.523171D+01  0.156617D+02  0.169755D+02 -0.141796D+02
      6   0.781751D+01 -0.992148D+00  0.866969D+01  0.385740D+01 -0.110435D+02
               106           107           108           109           110 
      1   0.938661D+01  0.544191D+01  0.130532D+02  0.464844D+02  0.251602D+02
      2  -0.140174D+01 -0.288242D+01 -0.713159D+01 -0.212156D+02 -0.956538D+01
      3  -0.798487D+01 -0.255949D+01 -0.592163D+01 -0.252688D+02 -0.155948D+02
      4   0.652071D+01  0.287166D+02 -0.571680D+01  0.345662D+02  0.299611D+02
      5   0.106179D+02 -0.528338D+01 -0.934417D+00 -0.176444D+02 -0.657086D+01
      6  -0.145844D+00 -0.563108D+01  0.554700D+00 -0.661964D+01 -0.595828D+01
               111           112           113           114           115 
      1  -0.109925D+02  0.448569D+02  0.116731D+02 -0.586663D+01 -0.186029D+02
      2   0.656050D+01 -0.188340D+02  0.662216D+01  0.409201D+01  0.122319D+02
      3   0.443204D+01 -0.260230D+02 -0.182953D+02  0.177462D+01  0.637095D+01
      4  -0.450600D+01  0.398841D+02  0.689915D+02 -0.134992D+02 -0.106228D+02
      5   0.133775D+02 -0.187451D+02 -0.136045D+02  0.258380D+02  0.224154D+02
      6   0.372753D+01 -0.634095D+01 -0.170555D+02  0.142381D+02  0.371749D+01
               116           117           118           119           120 
      1  -0.161252D+01  0.249797D+01  0.135142D+01 -0.123834D+02  0.111886D+02
      2   0.124562D+01 -0.794507D+01  0.727799D+01  0.266561D+01 -0.104715D+02
      3   0.366907D+00  0.544709D+01 -0.862942D+01  0.971778D+01 -0.717167D+00
      4  -0.225067D+02  0.194747D+02 -0.102483D+02  0.943290D+01 -0.603635D+01
      5   0.188931D+02 -0.225803D+02  0.176970D+02 -0.290106D+01 -0.172075D+02
      6   0.145421D+02 -0.958656D+01 -0.204901D+01  0.150573D+00  0.279927D+01
               121           122           123           124           125 
      1  -0.229681D+02  0.226812D+01 -0.315172D+01  0.208141D+02 -0.996032D+01
      2   0.685771D+01  0.132622D+02  0.161000D+01 -0.168622D+02  0.464450D+01
      3   0.161103D+02 -0.155303D+02  0.154171D+01 -0.395193D+01  0.531582D+01
      4   0.284723D+02 -0.430351D+02 -0.121872D+02 -0.692692D+01 -0.102406D+01
      5   0.816440D+01 -0.970613D+01 -0.121125D+02 -0.207806D+02 -0.298252D+01
      6  -0.523052D+01  0.117910D+02  0.122683D+02  0.366519D+01  0.738710D+01
               126           127           128           129           130 
      1  -0.233928D+02  0.885196D+00  0.784466D+00 -0.259391D+01  0.293639D+01
      2   0.154724D+02 -0.117492D+01 -0.328660D-02 -0.146791D+01 -0.246560D+01
      3   0.792047D+01  0.289723D+00 -0.781180D+00  0.406182D+01 -0.470797D+00
      4  -0.196215D+01 -0.692865D+01  0.671415D+01 -0.431418D+01  0.787179D+01
      5   0.241489D+02  0.430053D+01 -0.407338D+01  0.514404D+01 -0.412482D+01
      6   0.129618D+01 -0.456845D+01  0.456962D+01 -0.393871D+01  0.606932D+01
               131           132           133           134           135 
      1  -0.152720D+02  0.123030D+02 -0.109938D+01  0.917406D+01 -0.111131D+02
      2   0.115764D+02 -0.368313D+01 -0.794317D+00 -0.434141D+01  0.788833D+00
      3   0.369563D+01 -0.861989D+01  0.189370D+01 -0.483265D+01  0.103243D+02
      4  -0.112117D+02  0.641974D+01 -0.630796D+01  0.834359D+01 -0.675213D+01
      5   0.471492D+01 -0.433366D+01  0.530757D+01 -0.471065D+01  0.708906D+01
      6  -0.165362D+02  0.135960D+02 -0.532682D+01  0.121034D+02 -0.125662D+02
               136           137           138           139           140 
      1   0.478698D+01 -0.170549D+01  0.751573D-01 -0.367569D+01 -0.120233D+02
      2   0.734657D+00  0.497916D+01 -0.226859D+00  0.632070D+01  0.170808D+02
      3  -0.552164D+01 -0.327367D+01  0.151702D+00 -0.264501D+01 -0.505753D+01
      4   0.898122D+01  0.800511D+01 -0.199950D+01  0.100679D+02  0.128977D+02
      5  -0.623742D+01 -0.344505D+01  0.327723D+01 -0.551902D+01 -0.691900D+01
      6  -0.217981D+01 -0.217110D+01  0.231107D+01 -0.467230D+01 -0.870151D+01
               141           142           143           144           145 
      1   0.455254D+01  0.122544D+01  0.522539D+01 -0.343579D+01 -0.283913D+01
      2  -0.327071D+01 -0.171432D+01 -0.537605D+01  0.223337D+01  0.355042D+01
      3  -0.128183D+01  0.488878D+00  0.150667D+00  0.120242D+01 -0.711285D+00
      4  -0.334012D+01 -0.307841D+01 -0.286662D+01  0.267453D+01 -0.795316D+01
      5   0.518258D+01  0.268315D+01  0.308063D+01 -0.289100D+01  0.451107D+01
      6   0.617077D+01  0.257390D+01  0.507911D+01 -0.399670D+01 -0.612931D+01
               146           147           148           149           150 
      1   0.447951D+01 -0.388377D+01  0.633862D+01 -0.230474D+02  0.142777D+02
      2  -0.510382D+01  0.182509D+01 -0.735804D+01  0.262412D+02 -0.109303D+02
      3   0.624312D+00  0.205868D+01  0.101942D+01 -0.319379D+01 -0.334742D+01
      4   0.910649D+01 -0.570433D+01  0.875146D+01 -0.128266D+02  0.657742D+01
      5  -0.392507D+01  0.459789D+01 -0.377908D+01  0.340857D+01 -0.332030D+01
      6   0.618777D+01 -0.562861D+01  0.701772D+01 -0.196634D+02  0.151468D+02
               151           152           153           154           155 
      1  -0.477452D+01  0.141936D+02 -0.119986D+02  0.310673D+01 -0.336200D+01
      2   0.453073D+01 -0.132143D+02  0.692697D+01  0.630534D+01  0.120909D+02
      3   0.243783D+00 -0.979305D+00  0.507167D+01 -0.941208D+01 -0.872890D+01
      4  -0.648226D+01  0.897691D+01 -0.658902D+01  0.152463D+02  0.153513D+02
      5   0.381918D+01 -0.341206D+01  0.466133D+01 -0.577438D+01 -0.378900D+01
      6  -0.578048D+01  0.138478D+02 -0.132180D+02 -0.176969D+01 -0.963230D+00
               156           157           158           159           160 
      1  -0.112555D+01 -0.250606D+01 -0.167242D+02  0.356134D+01  0.312049D+01
      2  -0.622523D+00  0.120218D+02  0.319490D+02 -0.530213D+01 -0.375114D+01
      3   0.174808D+01 -0.951574D+01 -0.152248D+02  0.174080D+01  0.630659D+00
      4  -0.304929D+01  0.168272D+02  0.239561D+02 -0.528471D+01 -0.329463D+01
      5   0.345760D+01 -0.608656D+01 -0.738791D+01  0.510888D+01  0.263575D+01
      6   0.286630D+01 -0.405011D+01 -0.751611D+01  0.630165D+01  0.294893D+01
               161           162           163           164           165 
      1   0.682079D+01 -0.280738D+01  0.124830D+02  0.772803D+01  0.155479D+00
      2  -0.980441D+01  0.339891D+01 -0.244029D+01 -0.231982D+01 -0.534236D+00
      3   0.298362D+01 -0.591536D+00 -0.100427D+02 -0.540821D+01  0.378756D+00
      4  -0.479002D+01  0.391591D+01  0.157463D+02  0.170130D+02  0.664438D+01
      5   0.390914D+01 -0.236977D+01  0.447785D+01  0.773594D+01  0.800554D+01
      6   0.524039D+01 -0.350142D+01  0.560260D+01  0.482113D+01  0.276663D+01
               166           167           168           169           170 
      1   0.121812D+02 -0.731158D+01 -0.285496D+01 -0.726320D+01 -0.126894D+01
      2  -0.144424D+01  0.176984D+02  0.318185D+01  0.254141D+01  0.244207D+00
      3  -0.107370D+02 -0.103868D+02 -0.326895D+00  0.472179D+01  0.102474D+01
      4   0.246659D+02  0.498055D+02  0.178648D+02  0.549448D+01  0.760724D+01
      5   0.120990D+02  0.174467D+02  0.117902D+02  0.759455D+01  0.823764D+01
      6   0.945273D+01  0.225734D+02  0.128033D+02  0.348253D+01  0.889049D+01
               171           172           173           174           175 
      1  -0.227293D+01  0.433465D+01 -0.394494D+01  0.629511D+01 -0.119022D+02
      2  -0.591685D+00 -0.718588D+01  0.267625D+01 -0.549841D+01  0.945133D+01
      3   0.286462D+01  0.285124D+01  0.126869D+01 -0.796696D+00  0.245084D+01
      4   0.875656D+01 -0.521690D+01  0.458694D+01 -0.553625D+00  0.660184D+01
      5   0.103258D+02  0.991333D+01 -0.165885D+01  0.134608D+02 -0.695384D+01
      6   0.606625D+01 -0.226249D+01  0.995699D+00 -0.326417D-01  0.277016D+01
               176           177           178           179           180 
      1  -0.150363D+01  0.528694D+01  0.423810D+01  0.250039D+01 -0.173852D+02
      2  -0.202983D+01  0.630589D+01 -0.104802D+02  0.331730D+01 -0.231548D+02
      3   0.353346D+01 -0.115928D+02  0.624213D+01 -0.581769D+01  0.405401D+02
      4  -0.358116D+01  0.971978D+01 -0.148161D+01  0.710943D+01 -0.780094D+01
      5   0.996312D+01 -0.172161D+02  0.212161D+02 -0.779846D+01  0.526585D+02
      6  -0.316000D+01  0.705429D+01 -0.894043D+00  0.580021D+01 -0.225686D+01
               181           182           183           184           185 
      1   0.117859D+03  0.116868D+02  0.370099D+02  0.159750D+02  0.142273D+02
      2  -0.630438D+02 -0.707000D+01 -0.207391D+02 -0.838430D+01 -0.583270D+01
      3  -0.548149D+02 -0.461679D+01 -0.162708D+02 -0.759072D+01 -0.839459D+01
      4   0.105109D+02  0.133031D+02  0.155280D+01  0.196163D+02  0.892132D+00
      5   0.429980D+02  0.228804D+01  0.259880D+02  0.236328D+01  0.708331D+01
      6   0.125007D+01  0.125850D+01  0.912230D+00  0.295487D+01  0.113409D+01
               186           187           188           189           190 
      1   0.252499D+01  0.435912D+02  0.162014D+01  0.258795D+02 -0.300138D+00
      2  -0.125277D+01 -0.258638D+02 -0.144072D+01 -0.182198D+02  0.173656D+01
      3  -0.127222D+01 -0.177274D+02 -0.179419D+00 -0.765967D+01 -0.143642D+01
      4   0.691441D+01  0.458723D+00  0.534951D+01  0.594841D+01 -0.934442D+01
      5   0.662614D+01  0.329416D+02  0.666068D+01  0.241953D+02  0.532581D+01
      6   0.292322D+01  0.819462D+00  0.215383D+01  0.810746D+00 -0.292591D+01
               191           192           193           194           195 
      1  -0.960281D+01  0.552854D+01 -0.641141D+01 -0.803108D+01  0.778962D+01
      2   0.445735D+01 -0.328151D+01  0.131369D+01  0.148295D+02 -0.104136D+02
      3   0.514546D+01 -0.224704D+01  0.509772D+01 -0.679837D+01  0.262395D+01
      4   0.779716D+01 -0.284372D+01  0.998002D+01 -0.241547D+02  0.175556D+02
      5  -0.162236D+01  0.538084D+01 -0.294504D+01  0.178834D+02 -0.181174D+02
      6  -0.235263D-01 -0.505164D+00  0.157253D+01 -0.139045D+02  0.147950D+02
               196           197           198           199           200 
      1   0.722046D+01  0.928773D+01 -0.110696D+02 -0.398931D+02 -0.118097D+02
      2  -0.258677D+01 -0.129463D+02  0.549112D+01  0.217434D+02  0.116257D+02
      3  -0.463369D+01  0.365859D+01  0.557852D+01  0.181497D+02  0.183944D+00
      4  -0.827839D+01  0.272786D+02 -0.252326D+02  0.107611D+02 -0.722223D+01
      5   0.808378D+01 -0.251866D+02  0.416910D+02 -0.780984D+01 -0.120335D+01
      6  -0.319987D+01  0.176981D+02 -0.251734D+02  0.765743D+01  0.322737D+01
               201           202           203           204           205 
      1  -0.154977D+02 -0.763367D+01 -0.102493D+02 -0.288415D+01 -0.170149D+02
      2   0.761704D+01  0.696501D+01  0.869437D+01  0.336718D+01  0.797544D+01
      3   0.788070D+01  0.668659D+00  0.155498D+01 -0.483026D+00  0.903942D+01
      4   0.344972D+01  0.463474D-01 -0.167424D+01 -0.727390D+00  0.530050D+01
      5  -0.640630D+01 -0.436657D-01 -0.191102D+01 -0.429250D+01 -0.307386D+01
      6   0.648197D+01  0.239731D+01  0.260599D+01  0.502669D+01  0.451829D+01
               206           207           208           209           210 
      1  -0.535484D+01 -0.136024D+02  0.541583D+02 -0.242409D+02 -0.201492D+02
      2   0.525964D+01  0.678045D+01 -0.194292D+02  0.268892D+01  0.884537D+01
      3   0.952034D-01  0.682192D+01 -0.347290D+02  0.215519D+02  0.113038D+02
      4  -0.484198D+01 -0.382814D+01 -0.470254D+02  0.374867D+02  0.174224D+02
      5  -0.723817D+01 -0.604762D+01 -0.266007D+02  0.129391D+02  0.189215D+02
      6   0.656543D+01  0.530518D+01  0.113804D+02 -0.687960D+01 -0.810891D+01
               211           212           213           214           215 
      1  -0.176289D+02  0.147313D+02  0.527730D+01 -0.253000D+02  0.977637D+01
      2   0.968980D-01  0.268898D+01  0.923390D+00  0.103894D+02  0.261537D+00
      3   0.175320D+02 -0.174203D+02 -0.620069D+01  0.149106D+02 -0.100379D+02
      4   0.325750D+02 -0.307906D+02 -0.130948D+02  0.249914D+02 -0.216859D+02
      5   0.109233D+02 -0.117098D+02 -0.107483D+02  0.241843D+02 -0.182294D+02
      6  -0.675978D+01  0.758263D+01  0.786990D+01 -0.105605D+02  0.108697D+02
               216           217           218           219           220 
      1   0.127374D+02 -0.438524D+02 -0.297790D+01 -0.201563D+02 -0.472339D+01
      2  -0.524263D+01  0.157177D+02  0.135738D+01  0.216982D+01  0.267400D+01
      3  -0.749481D+01  0.281347D+02  0.162052D+01  0.179865D+02  0.204939D+01
      4  -0.212012D+02 -0.750822D+01 -0.508290D+01  0.637668D+00 -0.915579D+00
      5  -0.203584D+02  0.251344D+01  0.289961D+01 -0.947482D+01  0.172027D+01
      6   0.958327D+01  0.777591D+00  0.336827D+01 -0.167173D+01  0.202131D+01
               221           222           223           224           225 
      1  -0.574921D+01 -0.133205D+01 -0.189538D+02  0.552240D+00 -0.190553D+02
      2   0.393316D+01 -0.148189D+01  0.420736D+01 -0.146017D+01 -0.115794D+01
      3   0.181605D+01  0.281394D+01  0.147465D+02  0.907926D+00  0.202132D+02
      4   0.423960D+01 -0.272521D+01 -0.100121D+01 -0.269576D+01 -0.289443D+01
      5  -0.183685D+01 -0.531938D+01 -0.654392D+00 -0.126543D+01 -0.124369D+02
      6  -0.599181D+00  0.303055D+01 -0.129042D+01  0.261863D+01 -0.109036D+01
               226           227           228           229           230 
      1   0.894849D+01  0.117726D+02 -0.579736D+01  0.146113D+02  0.200632D+01
      2  -0.261084D+01 -0.268245D+01  0.344879D+01 -0.246617D+01  0.216127D+02
      3  -0.633765D+01 -0.909015D+01  0.234857D+01 -0.121451D+02 -0.236191D+02
      4   0.147198D+02  0.174681D+02 -0.113196D+01  0.249875D+02  0.757350D+02
      5  -0.724452D+01 -0.248686D+01  0.596998D+01 -0.667738D+01 -0.958363D+01
      6  -0.236297D+01 -0.265688D+01  0.929162D+00 -0.530531D+01 -0.186207D+02
               231           232           233           234           235 
      1   0.647222D+00 -0.123596D+01  0.268020D+01  0.237499D+00  0.659677D+02
      2   0.118918D+01  0.155648D+01  0.891783D+00  0.113787D+01 -0.444887D+02
      3  -0.183640D+01 -0.320520D+00 -0.357198D+01 -0.137537D+01 -0.214790D+02
      4  -0.776149D+01  0.118350D+01  0.354241D+01  0.677004D+01 -0.710639D+01
      5   0.109341D+02  0.486411D+01  0.646981D+01  0.221156D+00 -0.538966D+02
      6   0.736153D+01  0.108422D+01  0.569905D+01 -0.106698D+01  0.237890D+01
               236           237           238           239           240 
      1  -0.960465D+01 -0.347353D+02 -0.209490D+02  0.110621D+02  0.945210D+01
      2   0.678962D+01  0.272581D+02  0.144929D+02 -0.573044D+01 -0.966865D+01
      3   0.281503D+01  0.747720D+01  0.645618D+01 -0.533170D+01  0.216549D+00
      4   0.133169D+02  0.280123D+01  0.149348D+02 -0.520711D+01 -0.841738D+01
      5   0.664371D+01  0.400600D+02  0.181939D+02 -0.106292D+02 -0.187979D+02
      6  -0.486629D+01 -0.935641D+00 -0.568338D+01  0.308759D+01  0.436896D+01
               241           242           243           244           245 
      1  -0.325629D+02  0.334249D+01  0.227209D+02  0.206532D+01 -0.729594D+01
      2   0.276708D+02 -0.432454D+01 -0.262564D+02 -0.544100D+00  0.355974D+01
      3   0.489212D+01  0.982047D+00  0.353549D+01 -0.152122D+01  0.373620D+01
      4   0.349782D+01 -0.581879D+01 -0.621185D+01 -0.117801D+02  0.909771D+01
      5   0.434175D+02 -0.845412D+01 -0.439167D+02  0.568407D+01 -0.492736D+01
      6  -0.153121D+01  0.368791D+01  0.187554D+01 -0.640649D+01  0.304573D+01
               246           247           248           249           250 
      1   0.109707D+01 -0.940057D+01 -0.443278D+01  0.400823D+01 -0.210038D+00
      2  -0.127791D+01  0.374023D+01  0.682518D+01 -0.900943D+00 -0.183909D+01
      3   0.180836D+00  0.566033D+01 -0.239240D+01 -0.310728D+01  0.204912D+01
      4  -0.444869D+01  0.131834D+02 -0.289320D+02  0.128505D+02 -0.551557D+01
      5   0.746657D+01 -0.645448D+01  0.131751D+02 -0.124031D+02  0.112847D+02
      6  -0.185459D+01  0.510211D+01 -0.158605D+02  0.992262D+01 -0.349366D+01
               251           252           253           254           255 
      1   0.230372D+01 -0.289344D+01 -0.300904D+02 -0.104126D+02 -0.427210D+02
      2   0.976870D+00 -0.351387D+01  0.341816D+02  0.100114D+02  0.127348D+02
      3  -0.328059D+01  0.640730D+01 -0.409119D+01  0.401226D+00  0.299862D+02
      4   0.132168D+02 -0.101954D+02 -0.165979D+02  0.230621D+01 -0.126933D+02
      5  -0.974021D+01  0.151699D+02 -0.524224D+02 -0.830279D+01 -0.142777D+02
      6   0.101457D+02 -0.833327D+01 -0.110596D+02  0.120537D+01  0.270383D+00
               256           257           258           259           260 
      1  -0.263374D+01  0.304461D+01 -0.133806D+02 -0.369084D+02 -0.121729D+02
      2   0.352007D+01 -0.197435D+02  0.869217D+01  0.101796D+02  0.136546D+02
      3  -0.886330D+00  0.166989D+02  0.468839D+01  0.267288D+02 -0.148167D+01
      4   0.109558D+02 -0.704334D+01  0.180778D+02 -0.605087D+01  0.166390D+02
      5   0.196631D+01  0.220935D+02  0.100335D+02 -0.358184D+01  0.350359D+01
      6   0.892528D+01  0.333942D+01  0.163437D+02  0.511758D+01  0.121534D+02
               261           262           263           264           265 
      1   0.109554D+02  0.330593D+02 -0.791780D+01 -0.208312D+02  0.371894D+01
      2   0.452726D+01 -0.216545D+02  0.442442D+01  0.152374D+02 -0.463428D+01
      3  -0.154826D+02 -0.114048D+02  0.349338D+01  0.559378D+01  0.915340D+00
      4   0.883966D+01 -0.150357D+02  0.991058D+01  0.963355D+01  0.498288D+01
      5   0.235826D+01 -0.300495D+02  0.825104D+01  0.263741D+02 -0.442515D+01
      6   0.322794D+01  0.558625D+01 -0.281314D+01 -0.491564D+01 -0.162249D+01
               266           267           268           269           270 
      1   0.180603D+01 -0.381733D+01 -0.265511D+02  0.605051D+01  0.191277D+02
      2  -0.630960D+00  0.454590D+01  0.212614D+02 -0.425222D+01 -0.211868D+02
      3  -0.117507D+01 -0.728574D+00  0.528972D+01 -0.179829D+01  0.205913D+01
      4  -0.527743D+01 -0.377417D+01  0.140783D+02 -0.120622D+02 -0.143264D+02
      5  -0.408981D+01  0.411595D+01  0.371083D+02 -0.123206D+02 -0.435009D+02
      6   0.187064D+01  0.246730D+01 -0.676957D+01  0.516558D+01  0.913132D+01
               271           272           273           274           275 
      1   0.681216D+00  0.774773D+01  0.327319D+01  0.742551D+01 -0.170409D+02
      2   0.177756D+01 -0.690116D+01  0.207719D+00 -0.443689D+01  0.347146D+02
      3  -0.245877D+01 -0.846568D+00 -0.348091D+01 -0.298863D+01 -0.176738D+02
      4   0.445298D+01  0.871373D+00  0.815173D+00  0.584289D+01  0.282857D+02
      5   0.226434D+01  0.314035D+01  0.132984D+01  0.468852D+01 -0.575838D+01
      6   0.209741D+01 -0.189657D+01 -0.109329D+01  0.563022D+00  0.141445D+02
               276           277           278           279           280 
      1   0.183720D-01 -0.117150D+01  0.428833D+01 -0.210051D+01  0.660850D+02
      2  -0.627771D+01  0.205604D+01 -0.101844D+02  0.523175D+01 -0.463823D+02
      3   0.625934D+01 -0.884534D+00  0.589602D+01 -0.313124D+01 -0.197027D+02
      4  -0.243492D+01 -0.173482D+01 -0.975780D+01  0.154294D+01  0.264458D+02
      5   0.695061D+01 -0.107394D+01  0.286300D+01 -0.828590D+01  0.624074D+02
      6   0.360017D+01 -0.119842D+01 -0.139641D+01 -0.278461D+01  0.116006D+02
               281           282           283           284           285 
      1   0.660099D+01  0.221966D+02  0.886942D+00  0.603213D+01  0.169350D+01
      2  -0.351718D+01 -0.218784D+02  0.164025D+01 -0.141944D+01 -0.851391D-02
      3  -0.308381D+01 -0.318179D+00 -0.252719D+01 -0.461269D+01 -0.168498D+01
      4   0.146493D+02  0.130999D+02  0.127444D+02  0.643218D+01  0.483732D+01
      5   0.116012D+02  0.377765D+02  0.310048D+01  0.658142D+01  0.105784D+01
      6   0.853591D+01  0.889607D+01  0.691981D+01  0.306042D+01  0.377208D+01
               286           287           288           289           290 
      1   0.161957D+02  0.224065D+01  0.873377D+01 -0.149590D+02  0.480035D+01
      2  -0.182461D+02 -0.298086D+01 -0.165717D+02 -0.200511D+01 -0.273369D+01
      3   0.205044D+01  0.740216D+00  0.783790D+01  0.169641D+02 -0.206666D+01
      4   0.943276D+01  0.423045D+01  0.644969D+01 -0.333496D+01 -0.258465D+01
      5   0.328354D+02  0.593121D+01  0.272264D+02  0.614873D+00 -0.100726D+01
      6   0.673676D+01  0.384814D+01  0.678828D+01  0.361654D+01 -0.563293D+01
               291           292           293           294           295 
      1   0.263391D+02 -0.922671D+00 -0.678288D+01  0.164893D+01  0.177919D+02
      2   0.171744D+01 -0.562589D+00  0.247918D+01  0.280454D+01 -0.104186D+01
      3  -0.280565D+02  0.148526D+01  0.430371D+01 -0.445347D+01 -0.167501D+02
      4   0.311961D+01 -0.160405D+01 -0.571840D+00  0.103378D+01  0.436007D+01
      5  -0.207907D+01 -0.118743D+01 -0.135241D+01 -0.357538D+01  0.406190D+01
      6  -0.699419D+01 -0.360093D+01  0.719581D+00  0.508067D+01 -0.276236D+01
               296           297 
      1  -0.350199D+01 -0.353753D+02
      2   0.239340D+00 -0.121587D+02
      3   0.326265D+01  0.475340D+02
      4   0.172847D+01 -0.263750D+01
      5   0.207225D+01  0.168775D+02
      6   0.646733D+01  0.114740D+02
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Wed Sep  8 15:05:43 2021, MaxMem=  6442450944 cpu:           68212.2 elap:            8580.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.51638 -19.46379 -10.58601 -10.46588 -10.45776
 Alpha  occ. eigenvalues --  -10.45077 -10.44612 -10.44413 -10.44363 -10.44343
 Alpha  occ. eigenvalues --  -10.44322 -10.43791 -10.43600 -10.42375 -10.42338
 Alpha  occ. eigenvalues --   -1.24744  -1.14598  -1.00921  -0.96114  -0.93377
 Alpha  occ. eigenvalues --   -0.88071  -0.87593  -0.81592  -0.81255  -0.80171
 Alpha  occ. eigenvalues --   -0.73913  -0.73116  -0.69707  -0.67900  -0.63658
 Alpha  occ. eigenvalues --   -0.62729  -0.61290  -0.59367  -0.58338  -0.57519
 Alpha  occ. eigenvalues --   -0.56648  -0.54890  -0.54249  -0.53773  -0.53622
 Alpha  occ. eigenvalues --   -0.52746  -0.50515  -0.49239  -0.48790  -0.48044
 Alpha  occ. eigenvalues --   -0.47899  -0.47016  -0.45325  -0.44859  -0.44175
 Alpha  occ. eigenvalues --   -0.43528  -0.43130  -0.41901  -0.40131  -0.35421
 Alpha  occ. eigenvalues --   -0.33629
 Alpha virt. eigenvalues --    0.03562   0.04843   0.05094   0.05750   0.06236
 Alpha virt. eigenvalues --    0.06322   0.07472   0.07636   0.08083   0.09300
 Alpha virt. eigenvalues --    0.10008   0.10258   0.10439   0.11646   0.11869
 Alpha virt. eigenvalues --    0.12370   0.12756   0.13188   0.14625   0.15686
 Alpha virt. eigenvalues --    0.15940   0.16531   0.17640   0.17795   0.18203
 Alpha virt. eigenvalues --    0.18421   0.18622   0.20035   0.20432   0.20568
 Alpha virt. eigenvalues --    0.21221   0.21311   0.22110   0.22595   0.23306
 Alpha virt. eigenvalues --    0.23651   0.24409   0.24618   0.24911   0.25272
 Alpha virt. eigenvalues --    0.25947   0.26680   0.27070   0.27345   0.27787
 Alpha virt. eigenvalues --    0.28968   0.29576   0.29824   0.30421   0.31019
 Alpha virt. eigenvalues --    0.31558   0.31607   0.32133   0.32653   0.33207
 Alpha virt. eigenvalues --    0.33378   0.33844   0.34151   0.34465   0.35096
 Alpha virt. eigenvalues --    0.35350   0.35538   0.35604   0.36289   0.36458
 Alpha virt. eigenvalues --    0.36976   0.37366   0.37850   0.38362   0.38534
 Alpha virt. eigenvalues --    0.38640   0.39203   0.39382   0.40104   0.40399
 Alpha virt. eigenvalues --    0.40477   0.40718   0.41003   0.41286   0.41779
 Alpha virt. eigenvalues --    0.42115   0.42252   0.42438   0.42888   0.43005
 Alpha virt. eigenvalues --    0.43454   0.43808   0.44017   0.44268   0.44632
 Alpha virt. eigenvalues --    0.44958   0.45422   0.46353   0.46433   0.46556
 Alpha virt. eigenvalues --    0.47082   0.47639   0.47887   0.48011   0.48709
 Alpha virt. eigenvalues --    0.48949   0.49291   0.49567   0.49902   0.50310
 Alpha virt. eigenvalues --    0.50974   0.51451   0.51618   0.51981   0.52274
 Alpha virt. eigenvalues --    0.53214   0.53327   0.53596   0.54480   0.54647
 Alpha virt. eigenvalues --    0.55164   0.55587   0.55763   0.56197   0.56409
 Alpha virt. eigenvalues --    0.56552   0.56774   0.57133   0.57911   0.58593
 Alpha virt. eigenvalues --    0.58974   0.59510   0.59636   0.60246   0.60859
 Alpha virt. eigenvalues --    0.61346   0.61842   0.62079   0.62397   0.63089
 Alpha virt. eigenvalues --    0.63388   0.63933   0.64232   0.64429   0.64977
 Alpha virt. eigenvalues --    0.65603   0.65893   0.66214   0.67208   0.67526
 Alpha virt. eigenvalues --    0.67736   0.68494   0.68804   0.69074   0.69468
 Alpha virt. eigenvalues --    0.70343   0.70704   0.71719   0.72302   0.72686
 Alpha virt. eigenvalues --    0.73380   0.74049   0.74198   0.74810   0.75520
 Alpha virt. eigenvalues --    0.76160   0.77196   0.77851   0.78327   0.78887
 Alpha virt. eigenvalues --    0.79439   0.79563   0.80114   0.81030   0.81603
 Alpha virt. eigenvalues --    0.82225   0.83163   0.83878   0.84548   0.85499
 Alpha virt. eigenvalues --    0.85989   0.87257   0.87740   0.88975   0.89481
 Alpha virt. eigenvalues --    0.90248   0.90902   0.91469   0.93157   0.94217
 Alpha virt. eigenvalues --    0.95411   0.97187   0.97938   0.99689   1.00603
 Alpha virt. eigenvalues --    1.01149   1.01596   1.03116   1.03864   1.04976
 Alpha virt. eigenvalues --    1.05766   1.07168   1.07472   1.08501   1.08616
 Alpha virt. eigenvalues --    1.09941   1.10404   1.10947   1.11295   1.12204
 Alpha virt. eigenvalues --    1.12303   1.12444   1.13147   1.13654   1.13818
 Alpha virt. eigenvalues --    1.15027   1.15595   1.16195   1.16797   1.17979
 Alpha virt. eigenvalues --    1.20746   1.22308   1.22563   1.22909   1.25182
 Alpha virt. eigenvalues --    1.25474   1.26128   1.27151   1.27827   1.28368
 Alpha virt. eigenvalues --    1.29710   1.30111   1.30771   1.31336   1.31947
 Alpha virt. eigenvalues --    1.32729   1.34019   1.35057   1.35551   1.37251
 Alpha virt. eigenvalues --    1.37995   1.39565   1.41394   1.42724   1.43186
 Alpha virt. eigenvalues --    1.43407   1.45526   1.47168   1.49305   1.50077
 Alpha virt. eigenvalues --    1.50467   1.52310   1.53314   1.54911   1.56153
 Alpha virt. eigenvalues --    1.57371   1.59192   1.61258   1.62370   1.63631
 Alpha virt. eigenvalues --    1.64824   1.67007   1.67761   1.68879   1.71461
 Alpha virt. eigenvalues --    1.73478   1.74359   1.75259   1.76275   1.77228
 Alpha virt. eigenvalues --    1.78227   1.80054   1.81203   1.82767   1.83723
 Alpha virt. eigenvalues --    1.84473   1.87216   1.87729   1.88099   1.88174
 Alpha virt. eigenvalues --    1.88798   1.90613   1.91660   1.91850   1.93063
 Alpha virt. eigenvalues --    1.94534   1.95317   1.96652   1.98039   1.98758
 Alpha virt. eigenvalues --    1.99273   1.99885   2.00759   2.00906   2.02647
 Alpha virt. eigenvalues --    2.03239   2.03775   2.04967   2.05406   2.05804
 Alpha virt. eigenvalues --    2.07329   2.07622   2.09215   2.10192   2.11213
 Alpha virt. eigenvalues --    2.12193   2.13232   2.14431   2.14533   2.15195
 Alpha virt. eigenvalues --    2.16191   2.17385   2.18281   2.18871   2.20091
 Alpha virt. eigenvalues --    2.20833   2.22142   2.22499   2.23825   2.24388
 Alpha virt. eigenvalues --    2.25679   2.26644   2.27508   2.29103   2.30056
 Alpha virt. eigenvalues --    2.30972   2.31738   2.31918   2.33662   2.34855
 Alpha virt. eigenvalues --    2.36482   2.37902   2.38509   2.40430   2.44262
 Alpha virt. eigenvalues --    2.45628   2.46048   2.47231   2.49838   2.51017
 Alpha virt. eigenvalues --    2.51606   2.52903   2.53337   2.53742   2.56920
 Alpha virt. eigenvalues --    2.57773   2.59586   2.61077   2.62378   2.63902
 Alpha virt. eigenvalues --    2.64484   2.67254   2.69208   2.70068   2.70370
 Alpha virt. eigenvalues --    2.73709   2.74578   2.75560   2.75798   2.76996
 Alpha virt. eigenvalues --    2.78454   2.78549   2.79807   2.82351   2.85605
 Alpha virt. eigenvalues --    2.93279   2.95199   2.95588   2.98166   3.00268
 Alpha virt. eigenvalues --    3.01494   3.02226   3.05088   3.07611   3.08405
 Alpha virt. eigenvalues --    3.10538   3.12575   3.13179   3.14455   3.15219
 Alpha virt. eigenvalues --    3.17356   3.18256   3.22098   3.22402   3.24697
 Alpha virt. eigenvalues --    3.25147   3.27854   3.29137   3.29848   3.32384
 Alpha virt. eigenvalues --    3.33261   3.33868   3.36388   3.43726   3.46529
 Alpha virt. eigenvalues --    3.69716   3.74203   3.88473   4.00785
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C   10.743694  -1.722671  -2.200984   0.667020  -0.131882   0.193812
     2  C   -1.722671  14.544882   0.626146  -0.717656   0.751729  -1.868454
     3  C   -2.200984   0.626146  10.833268  -1.891514  -0.052961   0.043698
     4  C    0.667020  -0.717656  -1.891514  13.611951  -1.748239   0.886595
     5  C   -0.131882   0.751729  -0.052961  -1.748239  11.442867  -2.043818
     6  C    0.193812  -1.868454   0.043698   0.886595  -2.043818  10.532526
     7  C   -1.258730   0.413792   0.058880   0.174708   0.045185  -1.366282
     8  C   -0.071582   0.299865   0.017547   0.000170   0.011989  -0.072045
     9  C   -0.056871  -0.075727   0.003145  -0.006780   0.000308   0.013431
    10  C    0.008004  -0.069133  -0.000007  -0.005301   0.004595  -0.060065
    11  C    0.048972   0.145652  -0.914161   0.498605  -1.296461   0.048250
    12  C    0.001998   0.027756  -0.221173  -0.063587  -0.134998  -0.006887
    13  O    0.009489  -0.005797   0.016935   0.024236   0.025165   0.003228
    14  O   -0.000551  -0.001310  -0.006562   0.025412   0.004500   0.001530
    15  H    0.201833  -2.139693  -0.839748   0.128210   0.228896   0.068021
    16  H   -0.562207   0.017099   0.441758  -1.885188   0.051112   0.197474
    17  H    0.251051  -0.034517   0.132570  -2.154316   0.448379  -0.831289
    18  H    0.071168  -2.158405   0.193840   0.066309  -0.897406   0.478387
    19  H    0.108669  -0.073716   0.008700  -0.000674   0.004207  -0.035534
    20  H   -0.023101  -0.075280   0.006915   0.000935   0.008801   0.106789
    21  H    0.034268   0.037983  -0.002107  -0.000309  -0.002282   0.035174
    22  H    0.018729  -0.068944  -0.007022  -0.001489   0.000589   0.001921
    23  H   -0.015302   0.034138   0.005035   0.001253   0.005323  -0.003241
    24  H    0.002779   0.012790   0.000659   0.000269  -0.000622  -0.000466
    25  H   -0.008105   0.038361   0.004055   0.002334   0.006211  -0.020407
    26  H    0.000973  -0.063370   0.000492  -0.001404  -0.006513   0.012671
    27  H    0.000615   0.010766  -0.000534   0.000220   0.000477   0.004700
    28  H    0.024581  -0.002938   0.135324  -0.281083  -0.149703   0.013963
    29  C   -0.012369   0.002601  -0.075608   0.024133  -0.000074   0.006657
    30  H   -0.000457  -0.000072   0.001386  -0.009382   0.001925  -0.000368
    31  H    0.006479   0.000795  -0.026790  -0.016703  -0.008099  -0.001042
    32  H   -0.000704   0.000592  -0.006404  -0.031925  -0.017090  -0.000353
    33  H   -0.001714  -0.002479   0.012486  -0.054798   0.057892  -0.002757
               7          8          9         10         11         12
     1  C   -1.258730  -0.071582  -0.056871   0.008004   0.048972   0.001998
     2  C    0.413792   0.299865  -0.075727  -0.069133   0.145652   0.027756
     3  C    0.058880   0.017547   0.003145  -0.000007  -0.914161  -0.221173
     4  C    0.174708   0.000170  -0.006780  -0.005301   0.498605  -0.063587
     5  C    0.045185   0.011989   0.000308   0.004595  -1.296461  -0.134998
     6  C   -1.366282  -0.072045   0.013431  -0.060065   0.048250  -0.006887
     7  C    7.738405   0.018483   0.046914   0.051763  -0.003306  -0.000478
     8  C    0.018483   5.567078   0.341974   0.343226   0.000003  -0.000101
     9  C    0.046914   0.341974   4.355257  -0.030810  -0.000075   0.000070
    10  C    0.051763   0.343226  -0.030810   4.345557  -0.000098  -0.000003
    11  C   -0.003306   0.000003  -0.000075  -0.000098   7.736359   0.377105
    12  C   -0.000478  -0.000101   0.000070  -0.000003   0.377105   5.166222
    13  O    0.000011   0.000005  -0.000016   0.000001  -0.203504   0.533382
    14  O   -0.000023   0.000008  -0.000003   0.000005  -0.132865   0.242230
    15  H   -0.556917  -0.057161  -0.030465   0.000709   0.006188   0.007701
    16  H    0.019222   0.003215  -0.000511  -0.000427  -0.367467  -0.046279
    17  H    0.026560   0.002151  -0.000465  -0.000447  -0.559698  -0.086204
    18  H   -0.599246  -0.050027   0.001568  -0.029165   0.023184   0.004021
    19  H    0.062216   0.022706   0.003479   0.000327  -0.000083   0.000030
    20  H    0.062476   0.024470   0.002741   0.006661  -0.000183   0.000098
    21  H   -0.159190   0.359428  -0.040456  -0.040816  -0.000000  -0.000000
    22  H   -0.112424   0.082054   0.294532   0.009845  -0.000001   0.000007
    23  H   -0.104250   0.165575   0.123292  -0.016749   0.000012  -0.000013
    24  H    0.053332   0.137078   0.185379  -0.021580   0.000015  -0.000002
    25  H   -0.093783   0.160959  -0.017995   0.130362  -0.000055  -0.000012
    26  H   -0.105888   0.076856   0.010533   0.296822  -0.000021  -0.000001
    27  H    0.048512   0.142882  -0.021751   0.184942   0.000011   0.000001
    28  H    0.000062  -0.000015   0.000024  -0.000034   0.134592  -0.189052
    29  C   -0.000187   0.000034  -0.000054   0.000018   0.337832   0.008572
    30  H    0.000001  -0.000000  -0.000000  -0.000000   0.015599   0.104773
    31  H   -0.000039  -0.000000   0.000019  -0.000003   0.089535  -0.009895
    32  H   -0.000005   0.000002   0.000000  -0.000001   0.171824  -0.000462
    33  H    0.000041  -0.000015   0.000006   0.000006   0.061575   0.001762
              13         14         15         16         17         18
     1  C    0.009489  -0.000551   0.201833  -0.562207   0.251051   0.071168
     2  C   -0.005797  -0.001310  -2.139693   0.017099  -0.034517  -2.158405
     3  C    0.016935  -0.006562  -0.839748   0.441758   0.132570   0.193840
     4  C    0.024236   0.025412   0.128210  -1.885188  -2.154316   0.066309
     5  C    0.025165   0.004500   0.228896   0.051112   0.448379  -0.897406
     6  C    0.003228   0.001530   0.068021   0.197474  -0.831289   0.478387
     7  C    0.000011  -0.000023  -0.556917   0.019222   0.026560  -0.599246
     8  C    0.000005   0.000008  -0.057161   0.003215   0.002151  -0.050027
     9  C   -0.000016  -0.000003  -0.030465  -0.000511  -0.000465   0.001568
    10  C    0.000001   0.000005   0.000709  -0.000427  -0.000447  -0.029165
    11  C   -0.203504  -0.132865   0.006188  -0.367467  -0.559698   0.023184
    12  C    0.533382   0.242230   0.007701  -0.046279  -0.086204   0.004021
    13  O    7.890128  -0.010390  -0.000342  -0.006481   0.010111  -0.000279
    14  O   -0.010390   8.026796  -0.000006  -0.007490  -0.003318   0.000032
    15  H   -0.000342  -0.000006   4.475486  -1.002499  -0.032732   0.094224
    16  H   -0.006481  -0.007490  -1.002499   3.626641   0.078652  -0.027637
    17  H    0.010111  -0.003318  -0.032732   0.078652   4.239315  -1.182428
    18  H   -0.000279   0.000032   0.094224  -0.027637  -1.182428   4.448809
    19  H   -0.000002  -0.000016   0.031606  -0.000746   0.000038  -0.011157
    20  H   -0.000012  -0.000006  -0.030279   0.001083  -0.000225   0.026649
    21  H    0.000000  -0.000000   0.008317  -0.000072  -0.000100   0.008673
    22  H   -0.000001  -0.000000  -0.000451  -0.001027  -0.000003   0.000769
    23  H    0.000011   0.000006   0.007752   0.001718  -0.000219   0.001724
    24  H    0.000000   0.000000  -0.001987   0.000052   0.000001   0.000005
    25  H    0.000002   0.000007   0.000126  -0.000183   0.002452   0.004267
    26  H    0.000000   0.000001   0.000650  -0.000001  -0.000947  -0.000057
    27  H   -0.000000  -0.000000   0.000270  -0.000006   0.000041  -0.001785
    28  H    0.001685  -0.083336  -0.000819   0.031676   0.027602  -0.002398
    29  C   -0.020596   0.019540  -0.000464   0.002141  -0.040560   0.001155
    30  H   -0.047190   0.170229  -0.000029   0.001873   0.000387  -0.000021
    31  H    0.001548   0.000079   0.000533  -0.005740  -0.002603   0.000215
    32  H   -0.017236   0.002710  -0.000062   0.004310  -0.007099   0.000069
    33  H    0.014189   0.002950   0.000099  -0.007896   0.024280  -0.001034
              19         20         21         22         23         24
     1  C    0.108669  -0.023101   0.034268   0.018729  -0.015302   0.002779
     2  C   -0.073716  -0.075280   0.037983  -0.068944   0.034138   0.012790
     3  C    0.008700   0.006915  -0.002107  -0.007022   0.005035   0.000659
     4  C   -0.000674   0.000935  -0.000309  -0.001489   0.001253   0.000269
     5  C    0.004207   0.008801  -0.002282   0.000589   0.005323  -0.000622
     6  C   -0.035534   0.106789   0.035174   0.001921  -0.003241  -0.000466
     7  C    0.062216   0.062476  -0.159190  -0.112424  -0.104250   0.053332
     8  C    0.022706   0.024470   0.359428   0.082054   0.165575   0.137078
     9  C    0.003479   0.002741  -0.040456   0.294532   0.123292   0.185379
    10  C    0.000327   0.006661  -0.040816   0.009845  -0.016749  -0.021580
    11  C   -0.000083  -0.000183  -0.000000  -0.000001   0.000012   0.000015
    12  C    0.000030   0.000098  -0.000000   0.000007  -0.000013  -0.000002
    13  O   -0.000002  -0.000012   0.000000  -0.000001   0.000011   0.000000
    14  O   -0.000016  -0.000006  -0.000000  -0.000000   0.000006   0.000000
    15  H    0.031606  -0.030279   0.008317  -0.000451   0.007752  -0.001987
    16  H   -0.000746   0.001083  -0.000072  -0.001027   0.001718   0.000052
    17  H    0.000038  -0.000225  -0.000100  -0.000003  -0.000219   0.000001
    18  H   -0.011157   0.026649   0.008673   0.000769   0.001724   0.000005
    19  H    1.090355  -0.309866  -0.026646  -0.007444   0.008017   0.001515
    20  H   -0.309866   1.091472  -0.028344   0.033752  -0.022352  -0.003987
    21  H   -0.026646  -0.028344   1.148232  -0.027236   0.001778   0.017146
    22  H   -0.007444   0.033752  -0.027236   1.026328   0.050822  -0.288644
    23  H    0.008017  -0.022352   0.001778   0.050822   0.867046  -0.153641
    24  H    0.001515  -0.003987   0.017146  -0.288644  -0.153641   1.195840
    25  H   -0.021863   0.008341   0.001272  -0.002768   0.032593  -0.026405
    26  H    0.033505  -0.006425  -0.028158  -0.005963  -0.003091   0.012648
    27  H   -0.003819   0.000824   0.018585   0.012234  -0.026633  -0.006397
    28  H   -0.000005   0.000008   0.000000   0.000001   0.000009  -0.000000
    29  C    0.000006  -0.000015  -0.000000  -0.000007   0.000022   0.000001
    30  H    0.000000  -0.000000   0.000000   0.000000  -0.000000  -0.000000
    31  H   -0.000001   0.000001   0.000000   0.000001  -0.000004  -0.000000
    32  H   -0.000000   0.000000   0.000000  -0.000000  -0.000000  -0.000000
    33  H   -0.000000   0.000002  -0.000000  -0.000000   0.000022  -0.000000
              25         26         27         28         29         30
     1  C   -0.008105   0.000973   0.000615   0.024581  -0.012369  -0.000457
     2  C    0.038361  -0.063370   0.010766  -0.002938   0.002601  -0.000072
     3  C    0.004055   0.000492  -0.000534   0.135324  -0.075608   0.001386
     4  C    0.002334  -0.001404   0.000220  -0.281083   0.024133  -0.009382
     5  C    0.006211  -0.006513   0.000477  -0.149703  -0.000074   0.001925
     6  C   -0.020407   0.012671   0.004700   0.013963   0.006657  -0.000368
     7  C   -0.093783  -0.105888   0.048512   0.000062  -0.000187   0.000001
     8  C    0.160959   0.076856   0.142882  -0.000015   0.000034  -0.000000
     9  C   -0.017995   0.010533  -0.021751   0.000024  -0.000054  -0.000000
    10  C    0.130362   0.296822   0.184942  -0.000034   0.000018  -0.000000
    11  C   -0.000055  -0.000021   0.000011   0.134592   0.337832   0.015599
    12  C   -0.000012  -0.000001   0.000001  -0.189052   0.008572   0.104773
    13  O    0.000002   0.000000  -0.000000   0.001685  -0.020596  -0.047190
    14  O    0.000007   0.000001  -0.000000  -0.083336   0.019540   0.170229
    15  H    0.000126   0.000650   0.000270  -0.000819  -0.000464  -0.000029
    16  H   -0.000183  -0.000001  -0.000006   0.031676   0.002141   0.001873
    17  H    0.002452  -0.000947   0.000041   0.027602  -0.040560   0.000387
    18  H    0.004267  -0.000057  -0.001785  -0.002398   0.001155  -0.000021
    19  H   -0.021863   0.033505  -0.003819  -0.000005   0.000006   0.000000
    20  H    0.008341  -0.006425   0.000824   0.000008  -0.000015  -0.000000
    21  H    0.001272  -0.028158   0.018585   0.000000  -0.000000   0.000000
    22  H   -0.002768  -0.005963   0.012234   0.000001  -0.000007   0.000000
    23  H    0.032593  -0.003091  -0.026633   0.000009   0.000022  -0.000000
    24  H   -0.026405   0.012648  -0.006397  -0.000000   0.000001  -0.000000
    25  H    0.864415   0.047109  -0.147942   0.000012   0.000015  -0.000000
    26  H    0.047109   1.022830  -0.278717  -0.000001   0.000002  -0.000000
    27  H   -0.147942  -0.278717   1.165884   0.000000  -0.000002   0.000000
    28  H    0.000012  -0.000001   0.000000   1.435792  -0.234824  -0.005625
    29  C    0.000015   0.000002  -0.000002  -0.234824   4.353436   0.003122
    30  H   -0.000000  -0.000000   0.000000  -0.005625   0.003122   0.535296
    31  H   -0.000004   0.000000  -0.000000  -0.008368   0.294571   0.000023
    32  H   -0.000001   0.000000  -0.000000  -0.001761   0.238734   0.000269
    33  H    0.000044   0.000000  -0.000000   0.010196   0.179512  -0.000355
              31         32         33
     1  C    0.006479  -0.000704  -0.001714
     2  C    0.000795   0.000592  -0.002479
     3  C   -0.026790  -0.006404   0.012486
     4  C   -0.016703  -0.031925  -0.054798
     5  C   -0.008099  -0.017090   0.057892
     6  C   -0.001042  -0.000353  -0.002757
     7  C   -0.000039  -0.000005   0.000041
     8  C   -0.000000   0.000002  -0.000015
     9  C    0.000019   0.000000   0.000006
    10  C   -0.000003  -0.000001   0.000006
    11  C    0.089535   0.171824   0.061575
    12  C   -0.009895  -0.000462   0.001762
    13  O    0.001548  -0.017236   0.014189
    14  O    0.000079   0.002710   0.002950
    15  H    0.000533  -0.000062   0.000099
    16  H   -0.005740   0.004310  -0.007896
    17  H   -0.002603  -0.007099   0.024280
    18  H    0.000215   0.000069  -0.001034
    19  H   -0.000001  -0.000000  -0.000000
    20  H    0.000001   0.000000   0.000002
    21  H    0.000000   0.000000  -0.000000
    22  H    0.000001  -0.000000  -0.000000
    23  H   -0.000004  -0.000000   0.000022
    24  H   -0.000000  -0.000000  -0.000000
    25  H   -0.000004  -0.000001   0.000044
    26  H    0.000000   0.000000   0.000000
    27  H   -0.000000  -0.000000  -0.000000
    28  H   -0.008368  -0.001761   0.010196
    29  C    0.294571   0.238734   0.179512
    30  H    0.000023   0.000269  -0.000355
    31  H    0.676837  -0.007994  -0.018790
    32  H   -0.007994   0.689456  -0.108230
    33  H   -0.018790  -0.108230   0.810481
 Mulliken charges:
               1
     1  C   -0.326903
     2  C   -1.884783
     3  C   -0.297263
     4  C   -1.242014
     5  C   -0.610003
     6  C   -0.335819
     7  C    1.540184
     8  C   -1.526812
     9  C    0.899306
    10  C    0.891798
    11  C   -0.217332
    12  C    0.283419
    13  O   -0.218280
    14  O   -0.250157
    15  H    0.433036
    16  H    0.443829
    17  H    0.693579
    18  H    0.535976
    19  H    0.116196
    20  H    0.118057
    21  H   -0.315139
    22  H   -0.008159
    23  H    0.039350
    24  H   -0.115780
    25  H    0.036589
    26  H   -0.014536
    27  H   -0.103374
    28  H    0.144434
    29  C    0.912658
    30  H    0.228617
    31  H    0.035437
    32  H    0.091362
    33  H    0.022526
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    0.106133
     2  C   -1.884783
     3  C    0.146566
     4  C   -1.242014
     5  C    0.083576
     6  C    0.200158
     7  C    1.774437
     8  C   -1.841951
     9  C    0.814717
    10  C    0.810476
    11  C   -0.072898
    12  C    0.283419
    13  O   -0.218280
    14  O   -0.021540
    29  C    1.061984
 Electronic spatial extent (au):  <R**2>=           4407.2967
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=             -1.2269    Y=             -1.2847    Z=              0.4919  Tot=              1.8433
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -88.8717   YY=            -92.8610   ZZ=            -88.9301
   XY=             -5.6927   XZ=              2.6346   YZ=              0.0347
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=              1.3493   YY=             -2.6401   ZZ=              1.2908
   XY=             -5.6927   XZ=              2.6346   YZ=              0.0347
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=             17.1398  YYY=             -4.9481  ZZZ=            -10.4409  XYY=             -4.8628
  XXY=            -33.3841  XXZ=             -9.1937  XZZ=             23.6160  YZZ=             -2.4967
  YYZ=              1.5623  XYZ=             11.9733
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -4539.6228 YYYY=           -654.6854 ZZZZ=           -579.2505 XXXY=           -159.7728
 XXXZ=            -69.8397 YYYX=              7.4048 YYYZ=            -10.8939 ZZZX=            -36.8325
 ZZZY=              6.9121 XXYY=           -931.5069 XXZZ=           -802.2591 YYZZ=           -202.2971
 XXYZ=             66.7039 YYXZ=              2.2616 ZZXY=            -33.1380
 N-N= 9.813510194734D+02 E-N=-3.484301356410D+03  KE= 6.480729757259D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Wed Sep  8 15:05:44 2021, MaxMem=  6442450944 cpu:               8.3 elap:               1.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        =-4.50097753D-01-5.00508118D-01 1.46420811D-01
 Polarizability= 2.00170733D+02 5.59379819D+00 1.44712840D+02
                 7.08171403D+00-8.33210072D+00 1.30555475D+02
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 2      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 3     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 4      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 5      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 6      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -3.8487   -3.8472        3.0643    3.0716
 2      3.8487    3.8472        4.3930    4.4015      -28.6263  -28.6283
 3     -3.0643   -3.0716       36.0667   36.0617       -4.3971   -4.4015
 4     -4.3930   -4.4015       -0.0000    0.0000       -3.0801   -3.0716
 5     -7.4405   -7.4334        3.0801    3.0716       -3.8455   -3.8472
 6      4.3971    4.4015        3.8455    3.8472       -0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       11.5415   11.5415        9.2147    9.2147
 2    -13.2046  -13.2046       -0.0000    0.0000        9.2147    9.2147
 3    -13.2046  -13.2046       11.5415   11.5415       -0.0000    0.0000
 4     11.5415   11.5415       13.2046   13.2046      -85.8849  -85.8849
 5     -9.2147   -9.2147      108.1850  108.1850      -13.2046  -13.2046
 6    -22.3001  -22.3001        9.2147    9.2147      -11.5415  -11.5415
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.1511    0.0000       15.1005   15.3886      -13.0252  -12.2863
 2    -15.3565  -15.3886      -16.9035  -17.6062      114.3101  114.5132
 3     12.5684   12.2863     -144.3682 -144.2467       17.6785   17.6062
 4     17.7295   17.6062        0.0213    0.0000       12.4988   12.2863
 5     29.2613   29.7335      -12.3610  -12.2863       15.3095   15.3886
 6    -17.9586  -17.6062      -15.5774  -15.3886       -0.1035    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.2150    0.0000      -35.2426  -34.8895        5.4063    5.3990
 2     35.1825   34.8895       -0.7619   -0.5619       -4.4704   -4.0667
 3     -4.8961   -5.3990      -46.6620  -45.9858        0.4850    0.5619
 4      0.7704    0.5619        0.0568    0.0000       -5.2306   -5.3990
 5     50.4367   50.0525        4.6444    5.3990      -35.9951  -34.8895
 6     -0.4675   -0.5619       35.3683   34.8895        0.0311    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1    -22.7927  -23.1274       -3.5496   -4.1354       -2.3456   -2.8083
 2    -10.7852  -11.2234      -20.7030  -20.8249       -2.2465   -2.8083
 3    -10.9045  -11.2234       -4.0782   -4.1354      -34.5669  -35.3118
 4     17.0592   16.6896      -11.4631  -11.9040      -33.0237  -32.5636
 5    -32.6213  -32.5035      -51.2575  -51.1110       11.4782   11.9040
 6     83.8094   83.6747       30.6168   32.5035      -17.8760  -16.6896
 Full mass-weighted force constant matrix:
 Low frequencies ---   -1.4258   -0.0005   -0.0002    0.0009    3.0505    6.3961
 Low frequencies ---   24.3732   38.9708   49.6399
 Diagonal vibrational polarizability:
       39.0913618      10.5427820      24.2879651
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   19436.35
                      1                      2                      3
                      A                      A                      A
 Frequencies --     24.3636                38.9700                49.6342
 Red. masses --      4.0405                 7.6098                 3.6306
 Frc consts  --      0.0014                 0.0068                 0.0053
 IR Inten    --      0.1630                 1.5795                 0.2838
 RamAct Fr= 1--      0.3841                 1.0124                 2.0450
  Dep-P Fr= 1--      0.7425                 0.7500                 0.7386
  Dep-U Fr= 1--      0.8522                 0.8571                 0.8496
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0004
 Beta2  Fr= 1--      0.0546                 0.1446                 0.2896
 AlphaG Fr= 1--     -0.0003                -0.0000                 0.0012
 Gamma2 Fr= 1--     -0.1472                -0.8365                 0.6780
 Delta2 Fr= 1--     -0.1101                -0.2995                -0.2648
 Raman1 Fr= 1--       1.536                  4.050                  8.180
 ROA1   Fr= 1--     -17.657                -89.888                 56.613
 CID1   Fr= 1--     -11.493                -22.196                  6.921
 Raman2 Fr= 1--       0.655                  1.736                  3.475
 ROA2   Fr= 1--      -2.653                -17.680                 18.389
 CID2   Fr= 1--      -4.052                -10.187                  5.292
 Raman3 Fr= 1--       1.309                  3.471                  6.950
 ROA3   Fr= 1--     -17.657                -89.888                 56.613
 CID3   Fr= 1--     -13.486                -25.896                  8.146
 RC180  Fr= 1--       0.704                  0.714                  0.699
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.10  -0.03    -0.02  -0.02  -0.06     0.03  -0.09  -0.17
     2   6    -0.01  -0.08   0.02    -0.03  -0.00  -0.05    -0.01  -0.02  -0.05
     3   6     0.01  -0.10  -0.05    -0.01  -0.04  -0.08     0.03  -0.09  -0.18
     4   6     0.00  -0.08  -0.02    -0.02  -0.05  -0.08    -0.01  -0.01  -0.06
     5   6    -0.01  -0.06   0.03    -0.03  -0.04  -0.09    -0.05   0.05   0.05
     6   6    -0.02  -0.05   0.05    -0.04  -0.02  -0.08    -0.05   0.04   0.06
     7   6    -0.02  -0.07   0.05    -0.05   0.05   0.00    -0.03   0.02  -0.00
     8   6     0.01   0.05   0.01     0.01   0.06   0.07     0.02   0.03   0.05
     9   6     0.04   0.06  -0.16     0.08   0.05   0.11     0.17  -0.00   0.18
    10   6     0.04   0.19   0.08     0.03   0.02   0.05    -0.06  -0.08  -0.02
    11   6     0.00  -0.07  -0.02    -0.04  -0.05  -0.03    -0.03   0.03  -0.01
    12   6    -0.00   0.08  -0.01     0.01   0.01   0.02     0.02   0.02   0.03
    13   8    -0.03   0.14   0.10    -0.28   0.04  -0.16     0.12   0.02   0.11
    14   8     0.03   0.14  -0.13     0.43   0.01   0.29    -0.04   0.03  -0.02
    15   1     0.01  -0.12  -0.06    -0.01  -0.00  -0.05     0.06  -0.14  -0.25
    16   1     0.02  -0.12  -0.08     0.00  -0.05  -0.08     0.06  -0.13  -0.26
    17   1    -0.01  -0.04   0.06    -0.04  -0.05  -0.09    -0.08   0.10   0.14
    18   1    -0.03  -0.03   0.10    -0.05  -0.01  -0.07    -0.08   0.09   0.15
    19   1    -0.06  -0.08   0.15    -0.10   0.06  -0.01    -0.07   0.03  -0.01
    20   1    -0.02  -0.16   0.01    -0.08   0.08   0.02    -0.05   0.04   0.01
    21   1    -0.00   0.01   0.05    -0.02   0.12   0.10     0.01   0.17   0.02
    22   1     0.02  -0.04  -0.21     0.06   0.08   0.13     0.23   0.08   0.23
    23   1     0.05   0.10  -0.20     0.11  -0.01   0.08     0.19  -0.15   0.21
    24   1     0.06   0.14  -0.19     0.12   0.06   0.15     0.21   0.02   0.22
    25   1     0.06   0.24   0.04     0.06  -0.03   0.02    -0.06  -0.22   0.01
    26   1     0.02   0.19   0.21    -0.01   0.03   0.02    -0.17  -0.06  -0.11
    27   1     0.07   0.27   0.06     0.07   0.04   0.09    -0.03  -0.06   0.01
    28   1     0.05  -0.11  -0.11    -0.04  -0.05  -0.03    -0.03   0.04   0.01
    29   6    -0.05  -0.15   0.08    -0.10  -0.05  -0.01    -0.11   0.05  -0.03
    30   1     0.03   0.24  -0.12     0.43   0.03   0.30     0.01   0.03   0.02
    31   1    -0.11  -0.12   0.17    -0.08  -0.05  -0.01    -0.12   0.03  -0.05
    32   1    -0.05  -0.13   0.08    -0.12  -0.05   0.06    -0.13   0.09   0.01
    33   1    -0.04  -0.26   0.08    -0.15  -0.07  -0.05    -0.14   0.04  -0.05
                      4                      5                      6
                      A                      A                      A
 Frequencies --     56.3903                86.2246               102.5193
 Red. masses --      3.8167                 3.6635                 3.9609
 Frc consts  --      0.0072                 0.0160                 0.0245
 IR Inten    --      0.4883                 0.0549                 0.1244
 RamAct Fr= 1--      1.0492                 2.0318                 2.8560
  Dep-P Fr= 1--      0.7100                 0.6695                 0.6895
  Dep-U Fr= 1--      0.8304                 0.8020                 0.8162
 Alpha2 Fr= 1--      0.0007                 0.0029                 0.0030
 Beta2  Fr= 1--      0.1452                 0.2716                 0.3885
 AlphaG Fr= 1--      0.0004                -0.0015                 0.0033
 Gamma2 Fr= 1--     -0.0864                -0.8730                 0.8795
 Delta2 Fr= 1--      0.2386                -0.1564                 0.4783
 Raman1 Fr= 1--       4.197                  8.127                 11.424
 ROA1   Fr= 1--      -0.660                -88.810                 99.732
 CID1   Fr= 1--      -0.157                -10.928                  8.730
 Raman2 Fr= 1--       1.743                  3.259                  4.662
 ROA2   Fr= 1--      -3.983                -19.700                 17.281
 CID2   Fr= 1--      -2.286                 -6.045                  3.706
 Raman3 Fr= 1--       3.485                  6.518                  9.325
 ROA3   Fr= 1--      -0.660                -88.810                 99.732
 CID3   Fr= 1--      -0.189                -13.625                 10.696
 RC180  Fr= 1--       0.661                  0.604                  0.632
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.05   0.01  -0.02    -0.02  -0.03   0.06     0.08  -0.01  -0.12
     2   6    -0.02  -0.03  -0.08     0.03  -0.09  -0.02     0.04   0.03  -0.09
     3   6    -0.05   0.03  -0.01    -0.05   0.01   0.11     0.05  -0.01  -0.04
     4   6    -0.03  -0.00  -0.06    -0.02  -0.01   0.07    -0.03   0.03   0.07
     5   6     0.01  -0.06  -0.15     0.04  -0.08  -0.03    -0.07   0.08   0.11
     6   6     0.02  -0.07  -0.17     0.05  -0.11  -0.07    -0.04   0.07   0.03
     7   6    -0.04  -0.01  -0.00     0.03  -0.06  -0.01     0.05   0.05  -0.09
     8   6     0.04  -0.01   0.09     0.09   0.06  -0.03     0.08  -0.04   0.01
     9   6    -0.02   0.01  -0.01     0.28   0.03   0.02     0.01  -0.03   0.01
    10   6     0.23   0.06   0.14    -0.03   0.04  -0.05     0.26  -0.05   0.01
    11   6    -0.06   0.04   0.01    -0.02   0.04   0.05    -0.03  -0.02   0.07
    12   6     0.01  -0.01   0.06    -0.09   0.02  -0.01    -0.11  -0.01   0.01
    13   8     0.13  -0.04   0.11    -0.14   0.02  -0.06    -0.19  -0.00  -0.05
    14   8    -0.07  -0.03   0.06    -0.13   0.01  -0.01    -0.12  -0.01  -0.01
    15   1    -0.07   0.04   0.03    -0.04  -0.01   0.10     0.14  -0.05  -0.19
    16   1    -0.08   0.07   0.05    -0.08   0.06   0.18     0.10  -0.06  -0.07
    17   1     0.04  -0.08  -0.20     0.07  -0.10  -0.08    -0.13   0.11   0.19
    18   1     0.05  -0.10  -0.22     0.09  -0.16  -0.14    -0.08   0.11   0.05
    19   1    -0.06  -0.00   0.01    -0.04  -0.05   0.06     0.05   0.06  -0.17
    20   1    -0.11   0.01   0.01     0.04  -0.11  -0.04     0.02   0.14  -0.05
    21   1    -0.01  -0.08   0.21     0.08   0.20  -0.05     0.05  -0.10   0.10
    22   1    -0.16  -0.04  -0.04     0.43   0.06   0.03    -0.16  -0.02   0.01
    23   1     0.03   0.08  -0.13     0.27  -0.11   0.10     0.06   0.02  -0.12
    24   1     0.03   0.00   0.06     0.29   0.13  -0.03     0.06  -0.09   0.12
    25   1     0.29   0.15   0.02    -0.00  -0.13  -0.05     0.28   0.07  -0.04
    26   1     0.29   0.05   0.22    -0.21   0.07  -0.08     0.39  -0.08   0.02
    27   1     0.28   0.05   0.20     0.04   0.15  -0.03     0.25  -0.16   0.06
    28   1    -0.08   0.07   0.07     0.02   0.07   0.08    -0.03  -0.04   0.03
    29   6    -0.13   0.09  -0.03    -0.01   0.09  -0.00     0.04  -0.05   0.09
    30   1    -0.01  -0.07   0.09    -0.19  -0.00  -0.06    -0.20  -0.00  -0.07
    31   1    -0.10   0.07  -0.09    -0.05   0.06  -0.03     0.03  -0.03   0.13
    32   1    -0.15   0.11   0.02     0.00   0.13  -0.04     0.05  -0.08   0.05
    33   1    -0.18   0.12  -0.07     0.02   0.11   0.03     0.07  -0.06   0.12
                      7                      8                      9
                      A                      A                      A
 Frequencies --    173.0545               210.6918               224.3845
 Red. masses --      3.2369                 2.9850                 1.1698
 Frc consts  --      0.0571                 0.0781                 0.0347
 IR Inten    --      0.1072                 0.3234                 0.2397
 RamAct Fr= 1--      0.4922                 0.2189                 0.2426
  Dep-P Fr= 1--      0.6938                 0.5392                 0.2844
  Dep-U Fr= 1--      0.8192                 0.7006                 0.4429
 Alpha2 Fr= 1--      0.0005                 0.0009                 0.0026
 Beta2  Fr= 1--      0.0672                 0.0256                 0.0179
 AlphaG Fr= 1--     -0.0022                -0.0032                 0.0004
 Gamma2 Fr= 1--      0.7279                 0.0260                 0.3117
 Delta2 Fr= 1--      0.3705                 0.1220                 0.1640
 Raman1 Fr= 1--       1.969                  0.876                  0.970
 ROA1   Fr= 1--      81.732                  6.404                 35.173
 CID1   Fr= 1--      41.512                  7.312                 36.245
 Raman2 Fr= 1--       0.806                  0.307                  0.215
 ROA2   Fr= 1--      14.504                 -0.351                  6.169
 CID2   Fr= 1--      17.985                 -1.144                 28.704
 Raman3 Fr= 1--       1.613                  0.614                  0.430
 ROA3   Fr= 1--      81.732                  6.404                 35.173
 CID3   Fr= 1--      50.673                 10.437                 81.837
 RC180  Fr= 1--       0.638                  0.401                 -0.114
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.11   0.04  -0.05     0.07  -0.00  -0.09    -0.02   0.01   0.04
     2   6    -0.05  -0.01  -0.05     0.06   0.02  -0.01    -0.01   0.00   0.02
     3   6    -0.11   0.13  -0.02     0.09   0.01  -0.11    -0.01   0.00   0.03
     4   6    -0.06   0.15  -0.02     0.07   0.04  -0.06    -0.01  -0.01   0.00
     5   6    -0.03   0.13  -0.01     0.11   0.01  -0.10    -0.02   0.00   0.03
     6   6    -0.01   0.04  -0.02     0.10   0.00  -0.07    -0.02   0.01   0.04
     7   6    -0.06  -0.12  -0.00     0.03  -0.02   0.08     0.01  -0.00  -0.01
     8   6     0.00  -0.05   0.01    -0.02  -0.01   0.04     0.01  -0.00  -0.01
     9   6     0.13  -0.06  -0.04    -0.07  -0.00   0.01     0.03  -0.01  -0.01
    10   6     0.00  -0.01   0.04    -0.12   0.03   0.06     0.03  -0.01  -0.02
    11   6    -0.04   0.02  -0.04     0.02   0.03   0.05    -0.01  -0.02  -0.01
    12   6     0.01  -0.00  -0.01    -0.02   0.01   0.03     0.00  -0.01  -0.01
    13   8     0.07  -0.02   0.01    -0.06  -0.01  -0.06    -0.00   0.00   0.01
    14   8     0.03  -0.02   0.04    -0.11  -0.02   0.05     0.02   0.01  -0.03
    15   1    -0.14   0.01  -0.06     0.06  -0.02  -0.10    -0.02   0.02   0.05
    16   1    -0.16   0.16  -0.03     0.09  -0.00  -0.14    -0.01   0.01   0.03
    17   1     0.00   0.15   0.00     0.13   0.01  -0.12    -0.02   0.00   0.03
    18   1     0.03   0.02  -0.00     0.11  -0.01  -0.07    -0.03   0.02   0.04
    19   1    -0.03  -0.15   0.12     0.06  -0.03   0.14     0.01   0.00  -0.02
    20   1    -0.13  -0.22  -0.04    -0.03  -0.07   0.06     0.03   0.01  -0.01
    21   1    -0.03   0.00   0.05     0.02  -0.04  -0.01     0.01   0.00  -0.00
    22   1     0.21  -0.10  -0.05     0.04  -0.04  -0.00     0.02  -0.00  -0.01
    23   1     0.13  -0.13  -0.01    -0.14   0.04   0.12     0.04  -0.02  -0.03
    24   1     0.15   0.03  -0.08    -0.16   0.00  -0.11     0.04   0.00   0.00
    25   1     0.06  -0.11  -0.03    -0.14  -0.01   0.11     0.03   0.01  -0.02
    26   1    -0.14   0.01   0.08    -0.19   0.04   0.09     0.06  -0.02  -0.02
    27   1     0.10   0.12   0.08    -0.13   0.10   0.01     0.03  -0.04  -0.01
    28   1    -0.13  -0.05  -0.13    -0.02   0.00   0.01    -0.01  -0.01   0.00
    29   6     0.15  -0.13   0.10    -0.04  -0.04   0.14    -0.03   0.01  -0.04
    30   1     0.09  -0.05   0.08    -0.21  -0.08  -0.04     0.02   0.04  -0.03
    31   1     0.30  -0.03   0.23     0.29   0.02   0.13     0.50   0.02  -0.21
    32   1     0.16  -0.35   0.09    -0.15  -0.26   0.44    -0.19  -0.30   0.39
    33   1     0.15  -0.12   0.10    -0.29   0.05  -0.07    -0.42   0.31  -0.33
                     10                     11                     12
                      A                      A                      A
 Frequencies --    239.9932               247.0869               267.3892
 Red. masses --      2.3220                 1.2055                 1.0597
 Frc consts  --      0.0788                 0.0434                 0.0446
 IR Inten    --      0.4739                 0.3846                 0.2657
 RamAct Fr= 1--      1.8767                 0.3885                 0.6734
  Dep-P Fr= 1--      0.3040                 0.4682                 0.2052
  Dep-U Fr= 1--      0.4662                 0.6378                 0.3406
 Alpha2 Fr= 1--      0.0190                 0.0022                 0.0090
 Beta2  Fr= 1--      0.1458                 0.0413                 0.0382
 AlphaG Fr= 1--      0.0182                -0.0138                -0.0020
 Gamma2 Fr= 1--     -1.2293                 0.0889                -0.0123
 Delta2 Fr= 1--     -0.3868                 0.1737                -0.0099
 Raman1 Fr= 1--       7.507                  1.554                  2.694
 ROA1   Fr= 1--    -130.387                 14.097                 -1.500
 CID1   Fr= 1--     -17.370                  9.073                 -0.557
 Raman2 Fr= 1--       1.750                  0.496                  0.459
 ROA2   Fr= 1--     -26.409                  0.745                 -0.217
 CID2   Fr= 1--     -15.091                  1.504                 -0.472
 Raman3 Fr= 1--       3.500                  0.991                  0.917
 ROA3   Fr= 1--    -130.387                 14.097                 -1.500
 CID3   Fr= 1--     -37.254                 14.225                 -1.635
 RC180  Fr= 1--      -0.068                  0.276                 -0.319
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.09  -0.07    -0.02   0.01   0.02    -0.00  -0.00  -0.01
     2   6    -0.02  -0.07  -0.06     0.00  -0.00   0.02     0.00  -0.01  -0.02
     3   6    -0.01  -0.05  -0.01    -0.01   0.02   0.00    -0.01   0.00  -0.00
     4   6    -0.01   0.00   0.05     0.01   0.01  -0.02    -0.01   0.00   0.00
     5   6    -0.01  -0.04  -0.02     0.02   0.01  -0.01    -0.01   0.00  -0.00
     6   6     0.01  -0.07  -0.07     0.01   0.00   0.02    -0.01  -0.00  -0.01
     7   6    -0.05   0.02  -0.01     0.01  -0.01   0.01     0.00  -0.01  -0.00
     8   6    -0.03   0.04   0.01     0.01   0.00  -0.01     0.01  -0.00   0.00
     9   6    -0.05   0.04   0.04     0.05  -0.00  -0.01     0.01  -0.01   0.02
    10   6    -0.06   0.03   0.00    -0.03   0.00  -0.01     0.01   0.02   0.01
    11   6     0.01   0.02   0.05    -0.00   0.01  -0.02    -0.01  -0.01  -0.00
    12   6    -0.01   0.01   0.03     0.01   0.01  -0.01    -0.01  -0.01   0.00
    13   8    -0.02   0.03   0.07     0.02  -0.01  -0.04    -0.01   0.00   0.02
    14   8     0.01   0.03   0.01    -0.01  -0.01   0.01     0.01   0.00  -0.00
    15   1     0.02  -0.11  -0.10    -0.03   0.00   0.02    -0.01  -0.00  -0.01
    16   1    -0.03  -0.04  -0.02    -0.02   0.03   0.00    -0.01   0.00   0.00
    17   1    -0.01  -0.04  -0.02     0.04   0.01  -0.02    -0.01   0.00   0.00
    18   1     0.03  -0.09  -0.08     0.02   0.00   0.03    -0.01  -0.00  -0.01
    19   1    -0.11   0.04  -0.04     0.01  -0.01   0.02    -0.00  -0.01   0.00
    20   1    -0.04   0.05   0.00     0.02  -0.03   0.00    -0.01  -0.01  -0.00
    21   1    -0.03   0.05   0.00     0.01   0.02  -0.02     0.02  -0.01  -0.01
    22   1    -0.36   0.10   0.07    -0.29   0.04   0.01     0.42  -0.03   0.01
    23   1     0.08   0.06  -0.21     0.23  -0.03  -0.32    -0.17  -0.04   0.39
    24   1     0.10  -0.04   0.30     0.26  -0.03   0.30    -0.20   0.05  -0.31
    25   1    -0.12   0.14   0.09    -0.19   0.33   0.19    -0.13   0.37   0.17
    26   1     0.09   0.00  -0.02     0.37  -0.06  -0.03     0.41  -0.05   0.03
    27   1    -0.17  -0.08  -0.07    -0.30  -0.27  -0.19    -0.25  -0.24  -0.15
    28   1    -0.00   0.02   0.06    -0.00   0.00  -0.04    -0.02  -0.01   0.00
    29   6     0.22   0.06  -0.03    -0.06  -0.03   0.04     0.02   0.00  -0.02
    30   1     0.02   0.06   0.02    -0.02  -0.04   0.01     0.02   0.02   0.01
    31   1     0.45   0.06  -0.11    -0.11  -0.01   0.09     0.03  -0.00  -0.03
    32   1     0.23  -0.15  -0.04    -0.07   0.00   0.05     0.03  -0.01  -0.04
    33   1     0.20   0.29  -0.01    -0.06  -0.11   0.02     0.04   0.03  -0.00
                     13                     14                     15
                      A                      A                      A
 Frequencies --    280.3685               339.0597               356.4922
 Red. masses --      3.4970                 3.9325                 3.0102
 Frc consts  --      0.1620                 0.2664                 0.2254
 IR Inten    --      0.9761                 1.2175                 0.5534
 RamAct Fr= 1--      0.2968                 1.8382                 2.7270
  Dep-P Fr= 1--      0.2130                 0.3812                 0.6413
  Dep-U Fr= 1--      0.3512                 0.5520                 0.7815
 Alpha2 Fr= 1--      0.0039                 0.0145                 0.0054
 Beta2  Fr= 1--      0.0174                 0.1691                 0.3552
 AlphaG Fr= 1--     -0.0001                 0.0084                -0.0006
 Gamma2 Fr= 1--     -0.5749                 0.3284                 0.5109
 Delta2 Fr= 1--     -0.2672                -0.5117                 0.2610
 Raman1 Fr= 1--       1.187                  7.353                 10.908
 ROA1   Fr= 1--     -63.741                 15.154                 57.393
 CID1   Fr= 1--     -53.689                  2.061                  5.262
 Raman2 Fr= 1--       0.208                  2.029                  4.262
 ROA2   Fr= 1--     -11.660                 11.977                 10.173
 CID2   Fr= 1--     -55.924                  5.902                  2.387
 Raman3 Fr= 1--       0.417                  4.059                  8.524
 ROA3   Fr= 1--     -63.741                 15.154                 57.393
 CID3   Fr= 1--    -152.860                  3.734                  6.733
 RC180  Fr= 1--      -0.298                  0.104                  0.563
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.07   0.12  -0.02    -0.08   0.00   0.04     0.01  -0.02  -0.05
     2   6     0.03   0.13  -0.04    -0.01  -0.02   0.15     0.08  -0.09  -0.10
     3   6     0.07   0.04   0.01    -0.02   0.05  -0.14    -0.04   0.10   0.06
     4   6     0.01  -0.02  -0.01     0.03   0.07  -0.14    -0.02   0.09   0.04
     5   6    -0.03   0.02  -0.04     0.12   0.05  -0.08     0.01   0.08   0.08
     6   6    -0.02   0.10  -0.06     0.07  -0.01   0.10     0.07  -0.03  -0.02
     7   6     0.02  -0.04   0.04     0.03  -0.04   0.09     0.07  -0.08  -0.04
     8   6    -0.00  -0.10   0.05     0.02   0.08  -0.04     0.07   0.00  -0.06
     9   6     0.10  -0.11  -0.07    -0.02   0.10  -0.00    -0.09   0.00   0.15
    10   6    -0.11   0.00   0.11     0.09  -0.07  -0.12    -0.03   0.13  -0.01
    11   6    -0.01  -0.09   0.04    -0.04  -0.04  -0.00    -0.02  -0.04  -0.01
    12   6    -0.03  -0.08   0.05    -0.04  -0.08   0.07    -0.00  -0.07  -0.01
    13   8    -0.12  -0.01   0.14    -0.15  -0.01   0.16    -0.03  -0.04   0.04
    14   8     0.04  -0.01  -0.07    -0.01  -0.04  -0.01     0.07  -0.03  -0.09
    15   1     0.12   0.16  -0.01    -0.19  -0.05   0.05    -0.03  -0.05  -0.06
    16   1     0.13   0.01   0.04    -0.06   0.06  -0.23    -0.07   0.14   0.11
    17   1    -0.08  -0.02  -0.05     0.23   0.09  -0.10     0.03   0.14   0.14
    18   1    -0.07   0.13  -0.10     0.13  -0.03   0.16     0.09  -0.04  -0.01
    19   1     0.16  -0.08   0.09    -0.01  -0.06   0.26     0.02  -0.09   0.08
    20   1    -0.12  -0.09   0.02     0.12  -0.22  -0.00     0.04  -0.18  -0.09
    21   1     0.00  -0.10   0.04     0.03   0.09  -0.05     0.09  -0.02  -0.10
    22   1    -0.04  -0.19  -0.12    -0.07   0.12   0.01    -0.22   0.23   0.27
    23   1     0.21  -0.14  -0.27    -0.03   0.14  -0.01    -0.11   0.04   0.17
    24   1     0.24   0.00   0.04    -0.04   0.04   0.02    -0.14  -0.27   0.28
    25   1    -0.16   0.04   0.20     0.13  -0.12  -0.17    -0.04   0.13   0.01
    26   1    -0.12  -0.00   0.20     0.15  -0.06  -0.30    -0.12   0.13   0.15
    27   1    -0.16   0.08  -0.01     0.11  -0.23   0.00    -0.01   0.30  -0.09
    28   1    -0.06  -0.06   0.11    -0.19  -0.06   0.04    -0.08  -0.04   0.01
    29   6     0.00   0.04  -0.12     0.03  -0.01  -0.07    -0.09  -0.02  -0.03
    30   1     0.01   0.11  -0.06    -0.04   0.03  -0.02     0.09   0.08  -0.05
    31   1    -0.07  -0.05  -0.26    -0.03  -0.04  -0.10    -0.15  -0.05  -0.05
    32   1     0.04   0.16  -0.21     0.08   0.02  -0.18    -0.12   0.08   0.03
    33   1     0.07   0.14  -0.05     0.12   0.02   0.02    -0.13  -0.06  -0.07
                     16                     17                     18
                      A                      A                      A
 Frequencies --    390.1550               406.2980               422.1183
 Red. masses --      2.5679                 1.9758                 3.4831
 Frc consts  --      0.2303                 0.1922                 0.3657
 IR Inten    --      1.6590                 0.1776                 2.8790
 RamAct Fr= 1--      1.0978                 0.8877                 2.8138
  Dep-P Fr= 1--      0.4984                 0.1232                 0.1515
  Dep-U Fr= 1--      0.6652                 0.2194                 0.2632
 Alpha2 Fr= 1--      0.0055                 0.0147                 0.0433
 Beta2  Fr= 1--      0.1217                 0.0325                 0.1234
 AlphaG Fr= 1--      0.0015                 0.0223                -0.0658
 Gamma2 Fr= 1--      0.0890                 0.3433                -1.0175
 Delta2 Fr= 1--      0.0019                 0.1157                -0.0200
 Raman1 Fr= 1--       4.391                  3.551                 11.255
 ROA1   Fr= 1--       8.599                 36.661                -98.318
 CID1   Fr= 1--       1.958                 10.325                 -8.735
 Raman2 Fr= 1--       1.461                  0.390                  1.481
 ROA2   Fr= 1--       2.120                  7.314                -24.259
 CID2   Fr= 1--       1.451                 18.775                -16.378
 Raman3 Fr= 1--       2.921                  0.779                  2.962
 ROA3   Fr= 1--       8.599                 36.661                -98.318
 CID3   Fr= 1--       2.944                 47.057                -33.189
 RC180  Fr= 1--       0.330                 -0.561                 -0.474
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03   0.03   0.06    -0.01  -0.07  -0.02    -0.01   0.10   0.09
     2   6    -0.03   0.04   0.07     0.03  -0.07   0.04     0.09   0.02  -0.00
     3   6     0.02  -0.04  -0.06    -0.04   0.07   0.01     0.04  -0.05  -0.09
     4   6     0.03  -0.05  -0.08    -0.03   0.05  -0.04    -0.08  -0.05  -0.02
     5   6     0.02  -0.04  -0.06     0.05   0.00  -0.03    -0.08   0.00   0.13
     6   6    -0.03   0.03   0.06     0.02  -0.05   0.08     0.03  -0.08  -0.09
     7   6     0.02  -0.01  -0.08     0.07   0.14  -0.05     0.13  -0.02   0.04
     8   6    -0.05  -0.08  -0.13     0.05  -0.04   0.04     0.14   0.00   0.03
     9   6     0.01  -0.13   0.10     0.02  -0.03  -0.04    -0.02   0.04   0.00
    10   6     0.03   0.15  -0.02    -0.05   0.00   0.07    -0.03  -0.02   0.02
    11   6     0.00   0.00  -0.01    -0.05   0.00  -0.04    -0.11  -0.01  -0.11
    12   6    -0.01   0.04   0.02    -0.03  -0.01  -0.01    -0.09   0.08  -0.05
    13   8    -0.01   0.03   0.01    -0.02   0.00   0.04     0.04   0.06   0.02
    14   8    -0.06   0.01   0.07    -0.01  -0.01   0.01    -0.08   0.03   0.13
    15   1    -0.04   0.05   0.10    -0.07  -0.14  -0.07    -0.08   0.16   0.20
    16   1     0.03  -0.06  -0.09    -0.09   0.11   0.03     0.15  -0.14  -0.14
    17   1     0.02  -0.05  -0.08     0.14   0.03  -0.06    -0.10   0.08   0.25
    18   1    -0.04   0.04   0.08     0.03  -0.04   0.14    -0.00  -0.10  -0.25
    19   1     0.09  -0.02  -0.16    -0.00   0.22  -0.51     0.14  -0.04   0.15
    20   1     0.11   0.03  -0.06     0.19   0.55   0.14     0.07  -0.11   0.01
    21   1    -0.05  -0.07  -0.12     0.06  -0.07   0.02     0.17  -0.03  -0.03
    22   1     0.03   0.13   0.24     0.02  -0.13  -0.09    -0.14   0.01  -0.01
    23   1     0.04  -0.34   0.15     0.01   0.03  -0.06    -0.05   0.22  -0.02
    24   1     0.07  -0.23   0.25     0.01   0.02  -0.10    -0.09  -0.08   0.00
    25   1     0.09   0.30  -0.16    -0.08  -0.05   0.14    -0.09  -0.12   0.15
    26   1     0.00   0.13   0.30    -0.14   0.01   0.12    -0.11   0.00  -0.04
    27   1     0.12   0.35  -0.05    -0.06   0.11  -0.02    -0.08   0.03  -0.09
    28   1     0.01   0.00  -0.02    -0.08  -0.01  -0.05    -0.03  -0.03  -0.19
    29   6     0.05  -0.01  -0.02    -0.01  -0.03  -0.03     0.02  -0.08  -0.11
    30   1    -0.07  -0.07   0.04     0.05  -0.02   0.05     0.15  -0.14   0.25
    31   1     0.08   0.01  -0.01     0.00  -0.01  -0.01     0.11  -0.05  -0.08
    32   1     0.08  -0.06  -0.07     0.00  -0.06  -0.06     0.06  -0.21  -0.18
    33   1     0.10   0.03   0.02     0.01  -0.03  -0.02     0.07  -0.02  -0.06
                     19                     20                     21
                      A                      A                      A
 Frequencies --    422.8734               502.4175               518.1681
 Red. masses --      2.9226                 3.3780                 3.0615
 Frc consts  --      0.3079                 0.5024                 0.4843
 IR Inten    --      1.0085                 1.6552                19.6331
 RamAct Fr= 1--      0.6628                 0.4647                 0.5483
  Dep-P Fr= 1--      0.1794                 0.2890                 0.1212
  Dep-U Fr= 1--      0.3042                 0.4484                 0.2162
 Alpha2 Fr= 1--      0.0095                 0.0049                 0.0091
 Beta2  Fr= 1--      0.0336                 0.0347                 0.0198
 AlphaG Fr= 1--      0.0384                -0.0080                -0.0073
 Gamma2 Fr= 1--      0.8919                 0.0582                -0.0389
 Delta2 Fr= 1--      0.1375                 0.0398                -0.0099
 Raman1 Fr= 1--       2.651                  1.859                  2.193
 ROA1   Fr= 1--      90.026                  6.858                 -4.049
 CID1   Fr= 1--      33.957                  3.689                 -1.846
 Raman2 Fr= 1--       0.403                  0.417                  0.237
 ROA2   Fr= 1--      20.307                  1.078                 -0.854
 CID2   Fr= 1--      50.355                  2.587                 -3.602
 Raman3 Fr= 1--       0.807                  0.834                  0.474
 ROA3   Fr= 1--      90.026                  6.858                 -4.049
 CID3   Fr= 1--     111.621                  8.227                 -8.538
 RC180  Fr= 1--      -0.392                 -0.103                 -0.568
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.08   0.04   0.15     0.02   0.01  -0.06    -0.09   0.05   0.05
     2   6    -0.04  -0.04   0.01     0.01   0.11   0.17    -0.01  -0.01  -0.04
     3   6     0.04  -0.07  -0.15     0.00  -0.02  -0.06    -0.05  -0.04  -0.06
     4   6     0.04   0.05  -0.00    -0.15   0.06   0.12     0.00  -0.08  -0.12
     5   6    -0.02   0.12   0.13    -0.02  -0.09  -0.03    -0.06  -0.05  -0.07
     6   6     0.07  -0.10  -0.13    -0.01  -0.05  -0.03    -0.11   0.04   0.06
     7   6    -0.05   0.06  -0.05     0.09   0.03   0.09     0.07  -0.05  -0.07
     8   6    -0.06  -0.02   0.00    -0.00  -0.02  -0.04     0.21  -0.01   0.02
     9   6     0.03  -0.03  -0.02     0.01  -0.04   0.00    -0.01   0.04   0.01
    10   6    -0.01   0.01   0.02     0.02   0.02  -0.03    -0.02  -0.01   0.03
    11   6     0.05   0.01   0.05    -0.14   0.08   0.02    -0.00   0.06   0.07
    12   6     0.04  -0.05   0.03    -0.09  -0.04  -0.05     0.05  -0.03   0.06
    13   8    -0.03  -0.04   0.00     0.04  -0.09  -0.03    -0.00  -0.05  -0.03
    14   8     0.04  -0.02  -0.07     0.08   0.02  -0.11     0.05   0.01  -0.06
    15   1    -0.16   0.12   0.30     0.05  -0.12  -0.24    -0.15   0.11   0.17
    16   1     0.05  -0.13  -0.34     0.14  -0.17  -0.21    -0.07  -0.00   0.02
    17   1    -0.07   0.22   0.29     0.08  -0.18  -0.22    -0.11  -0.03  -0.00
    18   1     0.19  -0.22  -0.26    -0.01  -0.12  -0.26    -0.19   0.12   0.16
    19   1    -0.08   0.10  -0.27     0.18   0.01   0.10     0.04  -0.04  -0.03
    20   1     0.01   0.26   0.05     0.16  -0.01   0.07     0.03  -0.05  -0.06
    21   1    -0.07  -0.00   0.03     0.03  -0.05  -0.09     0.20  -0.00   0.04
    22   1     0.08  -0.06  -0.03     0.02   0.01   0.03    -0.16   0.02  -0.00
    23   1     0.05  -0.10  -0.03     0.03  -0.10   0.00    -0.08   0.32   0.02
    24   1     0.07   0.06  -0.03     0.04  -0.04   0.04    -0.15  -0.17  -0.02
    25   1     0.00   0.06  -0.02     0.04   0.05  -0.08    -0.14  -0.13   0.27
    26   1     0.02   0.00   0.07     0.02   0.01   0.02    -0.15   0.01  -0.00
    27   1    -0.00   0.01   0.03     0.05   0.04  -0.01    -0.12   0.10  -0.17
    28   1    -0.01   0.02   0.09    -0.14   0.10   0.05    -0.05   0.09   0.15
    29   6    -0.01   0.04   0.06    -0.01   0.07   0.09     0.04   0.10   0.12
    30   1    -0.06   0.08  -0.13     0.37   0.25   0.15    -0.17   0.16  -0.19
    31   1    -0.07   0.03   0.06     0.04   0.13   0.20     0.07   0.14   0.19
    32   1    -0.03   0.10   0.10     0.01  -0.07   0.06     0.07   0.02   0.06
    33   1    -0.03  -0.01   0.04     0.02   0.03   0.12     0.09   0.09   0.16
                     22                     23                     24
                      A                      A                      A
 Frequencies --    597.9521               627.9958               641.7787
 Red. masses --      1.6463                 2.0248                 3.4887
 Frc consts  --      0.3468                 0.4705                 0.8466
 IR Inten    --     61.7871                39.5132                20.7044
 RamAct Fr= 1--      1.4315                 0.5273                 3.1139
  Dep-P Fr= 1--      0.3876                 0.5830                 0.6737
  Dep-U Fr= 1--      0.5586                 0.7366                 0.8050
 Alpha2 Fr= 1--      0.0111                 0.0016                 0.0042
 Beta2  Fr= 1--      0.1333                 0.0647                 0.4178
 AlphaG Fr= 1--      0.0140                 0.0099                -0.0285
 Gamma2 Fr= 1--     -0.9937                 0.0337                -0.0957
 Delta2 Fr= 1--     -0.0133                -0.2264                 0.2181
 Raman1 Fr= 1--       5.726                  2.109                 12.456
 ROA1   Fr= 1--     -95.821                 -4.009                 -2.212
 CID1   Fr= 1--     -16.734                 -1.901                 -0.178
 Raman2 Fr= 1--       1.599                  0.777                  5.014
 ROA2   Fr= 1--     -23.743                  2.620                 -4.043
 CID2   Fr= 1--     -14.845                  3.373                 -0.806
 Raman3 Fr= 1--       3.199                  1.554                 10.027
 ROA3   Fr= 1--     -95.821                 -4.009                 -2.212
 CID3   Fr= 1--     -29.955                 -2.580                 -0.221
 RC180  Fr= 1--       0.117                  0.473                  0.610
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.02   0.02    -0.04  -0.03   0.04     0.08  -0.06   0.09
     2   6     0.04  -0.04  -0.08    -0.10   0.03   0.05    -0.00  -0.06   0.01
     3   6     0.03  -0.02   0.01    -0.00  -0.05  -0.01     0.12   0.10  -0.02
     4   6     0.05  -0.06  -0.07     0.03   0.06   0.11     0.02   0.05  -0.04
     5   6     0.04  -0.02   0.02     0.02   0.04  -0.05    -0.06   0.09  -0.10
     6   6     0.03   0.03   0.03    -0.02   0.06  -0.00    -0.08  -0.06   0.02
     7   6    -0.03  -0.00  -0.01    -0.04  -0.04  -0.09    -0.02  -0.02  -0.01
     8   6    -0.05   0.01   0.01     0.10  -0.01   0.00    -0.00   0.00   0.00
     9   6    -0.00   0.01  -0.00     0.01   0.02   0.01    -0.00   0.01   0.00
    10   6    -0.00  -0.00   0.00     0.00  -0.01   0.02     0.00  -0.00   0.01
    11   6    -0.03   0.06  -0.03     0.10  -0.03   0.01    -0.04  -0.13   0.14
    12   6    -0.08  -0.03  -0.05     0.01   0.01  -0.05    -0.03   0.03   0.11
    13   8    -0.02  -0.02   0.03    -0.03   0.05   0.02     0.06  -0.11  -0.13
    14   8    -0.02  -0.02  -0.05    -0.05  -0.04  -0.01    -0.06   0.17  -0.01
    15   1    -0.01   0.13   0.18     0.08  -0.11  -0.14     0.01  -0.07   0.12
    16   1    -0.01   0.06   0.17     0.02  -0.14  -0.26     0.05   0.13  -0.06
    17   1    -0.02   0.06   0.16     0.05  -0.11  -0.27    -0.02   0.14  -0.06
    18   1    -0.03   0.11   0.19     0.11  -0.07  -0.15    -0.03  -0.07   0.12
    19   1    -0.05   0.00  -0.01    -0.04  -0.05  -0.08    -0.04  -0.02   0.02
    20   1    -0.06  -0.00  -0.01    -0.02  -0.02  -0.08    -0.02  -0.05  -0.03
    21   1    -0.05   0.01   0.01     0.06   0.04   0.08    -0.01   0.01   0.02
    22   1     0.03  -0.00  -0.01    -0.08   0.02   0.01    -0.00   0.01   0.00
    23   1     0.01  -0.05  -0.01    -0.05   0.19   0.03    -0.00   0.01   0.00
    24   1     0.03   0.06   0.00    -0.09  -0.12  -0.02    -0.01   0.00  -0.00
    25   1     0.02   0.02  -0.04    -0.08  -0.07   0.17    -0.00  -0.01   0.01
    26   1     0.03  -0.01  -0.00    -0.08   0.01   0.02    -0.00  -0.00  -0.00
    27   1     0.02  -0.04   0.05    -0.07   0.06  -0.12    -0.00  -0.01   0.01
    28   1     0.01   0.10   0.02     0.13  -0.04  -0.02    -0.08  -0.17   0.07
    29   6     0.01   0.05   0.05    -0.00  -0.01  -0.01    -0.01  -0.05  -0.03
    30   1     0.68   0.01   0.48     0.49  -0.18   0.36     0.38   0.42   0.36
    31   1     0.05   0.12   0.18    -0.08  -0.06  -0.07    -0.02  -0.20  -0.30
    32   1     0.01  -0.06   0.05    -0.05   0.13   0.11     0.03   0.07  -0.15
    33   1     0.02  -0.04   0.05    -0.09  -0.05  -0.09     0.05   0.21   0.05
                     25                     26                     27
                      A                      A                      A
 Frequencies --    665.6959               703.4642               769.4432
 Red. masses --      5.2652                 3.1641                 3.6831
 Frc consts  --      1.3747                 0.9225                 1.2847
 IR Inten    --      5.9923                34.0466                 8.8997
 RamAct Fr= 1--      4.3803                 0.2674                19.8440
  Dep-P Fr= 1--      0.5581                 0.6128                 0.0113
  Dep-U Fr= 1--      0.7164                 0.7599                 0.0224
 Alpha2 Fr= 1--      0.0160                 0.0007                 0.4294
 Beta2  Fr= 1--      0.5230                 0.0339                 0.0742
 AlphaG Fr= 1--     -0.0100                -0.0055                 0.0915
 Gamma2 Fr= 1--     -0.1474                 0.8087                 0.5001
 Delta2 Fr= 1--     -0.5411                 0.1793                 0.0346
 Raman1 Fr= 1--      17.521                  1.070                 79.376
 ROA1   Fr= 1--     -31.465                 83.376                 49.119
 CID1   Fr= 1--      -1.796                 77.952                  0.619
 Raman2 Fr= 1--       6.276                  0.406                  0.890
 ROA2   Fr= 1--       0.792                 17.976                 11.726
 CID2   Fr= 1--       0.126                 44.233                 13.176
 Raman3 Fr= 1--      12.552                  0.813                  1.780
 ROA3   Fr= 1--     -31.465                 83.376                 49.119
 CID3   Fr= 1--      -2.507                102.581                 27.596
 RC180  Fr= 1--       0.433                  0.520                 -0.955
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.19   0.12  -0.12    -0.07  -0.01  -0.12    -0.05   0.15   0.02
     2   6    -0.00   0.07  -0.04     0.01   0.02   0.04     0.14  -0.09  -0.14
     3   6    -0.20  -0.15  -0.01    -0.12   0.03   0.02     0.02   0.04  -0.13
     4   6     0.00  -0.06   0.05     0.01  -0.05  -0.09    -0.13   0.08   0.13
     5   6     0.21  -0.10   0.12    -0.09   0.01   0.03     0.01  -0.13  -0.03
     6   6     0.23   0.17   0.01    -0.04  -0.06  -0.08    -0.05  -0.04   0.13
     7   6    -0.02   0.01  -0.04     0.10   0.08   0.17     0.08  -0.04  -0.05
     8   6     0.01  -0.00   0.00     0.02  -0.01  -0.01    -0.11   0.01  -0.00
     9   6     0.00   0.01  -0.00    -0.00  -0.06  -0.01    -0.02   0.08   0.00
    10   6    -0.00  -0.00   0.01     0.01   0.03  -0.06    -0.03  -0.03   0.06
    11   6    -0.03  -0.09   0.09     0.12  -0.07   0.07     0.02  -0.06   0.06
    12   6    -0.03   0.01   0.11     0.16   0.02   0.06     0.12   0.03  -0.00
    13   8     0.04  -0.11  -0.08    -0.04   0.06  -0.04    -0.00   0.08  -0.03
    14   8    -0.03   0.14   0.01    -0.07  -0.03  -0.04    -0.01  -0.06  -0.03
    15   1    -0.10   0.16  -0.12    -0.16  -0.02  -0.09    -0.20   0.15   0.12
    16   1    -0.14  -0.19  -0.01    -0.20   0.13   0.14     0.17  -0.10  -0.26
    17   1     0.14  -0.15   0.10    -0.18   0.09   0.20     0.17  -0.18  -0.20
    18   1     0.20   0.19  -0.02    -0.12   0.00  -0.07    -0.19   0.07   0.19
    19   1    -0.03   0.03  -0.17     0.11   0.08   0.14     0.05  -0.03  -0.07
    20   1     0.01   0.13   0.02     0.12   0.08   0.17     0.06  -0.04  -0.05
    21   1    -0.01   0.02   0.02     0.09  -0.08  -0.13    -0.07  -0.03  -0.07
    22   1    -0.01   0.01  -0.00     0.02  -0.06  -0.01     0.08   0.09   0.01
    23   1    -0.00   0.04   0.00     0.02  -0.11  -0.02     0.04  -0.11  -0.02
    24   1    -0.01  -0.00  -0.01     0.03  -0.04   0.01     0.09   0.24   0.03
    25   1    -0.01  -0.00   0.02     0.03   0.04  -0.10     0.06   0.04  -0.10
    26   1    -0.01   0.00   0.01     0.03   0.02  -0.05     0.07  -0.05   0.08
    27   1    -0.01   0.01  -0.01     0.04   0.02  -0.02     0.05  -0.12   0.23
    28   1    -0.04  -0.12   0.04     0.07  -0.08   0.07    -0.03  -0.09   0.02
    29   6    -0.01  -0.07  -0.05     0.02   0.01   0.03     0.01  -0.00   0.03
    30   1     0.10   0.40   0.15     0.46  -0.19   0.32     0.12  -0.26   0.03
    31   1    -0.01  -0.18  -0.25    -0.04  -0.08  -0.11    -0.05  -0.11  -0.16
    32   1     0.02   0.01  -0.13    -0.00   0.19   0.08    -0.01   0.16   0.04
    33   1     0.03   0.12   0.01    -0.02   0.07  -0.00    -0.02   0.13   0.02
                     28                     29                     30
                      A                      A                      A
 Frequencies --    778.4215               818.6302               838.6260
 Red. masses --      3.1503                 3.0379                 2.6289
 Frc consts  --      1.1247                 1.1995                 1.0893
 IR Inten    --      9.3848                 9.9325                 0.4500
 RamAct Fr= 1--     12.8263                 4.5131                11.1889
  Dep-P Fr= 1--      0.0554                 0.1106                 0.0209
  Dep-U Fr= 1--      0.1050                 0.1991                 0.0409
 Alpha2 Fr= 1--      0.2501                 0.0770                 0.2368
 Beta2  Fr= 1--      0.2245                 0.1498                 0.0763
 AlphaG Fr= 1--      0.0478                -0.0195                 0.0364
 Gamma2 Fr= 1--     -0.1029                 1.4456                 0.3821
 Delta2 Fr= 1--     -0.2314                 0.1310                 0.1713
 Raman1 Fr= 1--      51.305                 18.052                 44.755
 ROA1   Fr= 1--     -17.281                142.971                 42.160
 CID1   Fr= 1--      -0.337                  7.920                  0.942
 Raman2 Fr= 1--       2.694                  1.797                  0.916
 ROA2   Fr= 1--      -0.618                 33.647                  7.799
 CID2   Fr= 1--      -0.229                 18.722                  8.519
 Raman3 Fr= 1--       5.388                  3.594                  1.831
 ROA3   Fr= 1--     -17.281                142.971                 42.160
 CID3   Fr= 1--      -3.207                 39.777                 23.025
 RC180  Fr= 1--      -0.790                 -0.602                 -0.918
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04  -0.02   0.04     0.04   0.03   0.04    -0.03  -0.04   0.04
     2   6     0.01  -0.07  -0.12     0.01  -0.03  -0.06     0.03  -0.04  -0.08
     3   6     0.00  -0.08  -0.06     0.05   0.01   0.01    -0.05  -0.08   0.02
     4   6    -0.00   0.07   0.13    -0.05   0.02   0.03     0.03   0.02   0.04
     5   6     0.02   0.02  -0.11     0.03  -0.04   0.06    -0.06   0.06  -0.03
     6   6    -0.01   0.06  -0.00     0.00  -0.00   0.06    -0.06   0.05   0.00
     7   6    -0.02   0.09   0.17    -0.12   0.05   0.04     0.13   0.02   0.04
     8   6     0.08   0.01   0.03     0.06   0.02   0.05    -0.04   0.00  -0.01
     9   6    -0.00  -0.14  -0.01     0.00  -0.12   0.00    -0.02   0.04  -0.00
    10   6     0.02   0.07  -0.12     0.02   0.06  -0.10    -0.02  -0.02   0.04
    11   6     0.03  -0.03   0.04    -0.08   0.08  -0.07     0.12   0.10  -0.10
    12   6    -0.13   0.01  -0.10     0.21  -0.01   0.16    -0.00  -0.05   0.09
    13   8     0.04  -0.00   0.02    -0.06   0.01  -0.04    -0.04  -0.09   0.02
    14   8     0.04  -0.00   0.03    -0.05  -0.00  -0.04    -0.03   0.08   0.03
    15   1    -0.13   0.18   0.36     0.10   0.01  -0.02    -0.02  -0.02   0.06
    16   1    -0.10  -0.00  -0.02     0.19  -0.13  -0.11    -0.08  -0.10  -0.12
    17   1    -0.08   0.06   0.01     0.18  -0.17  -0.21    -0.03  -0.15  -0.32
    18   1    -0.10   0.23   0.37     0.05  -0.07  -0.08    -0.01  -0.02  -0.13
    19   1    -0.13   0.12   0.17    -0.22   0.06   0.10     0.14   0.01   0.08
    20   1    -0.12   0.12   0.19    -0.25   0.04   0.04     0.12  -0.03   0.02
    21   1     0.13  -0.04  -0.05     0.02   0.05   0.11     0.05  -0.11  -0.17
    22   1    -0.05  -0.20  -0.04    -0.07  -0.21  -0.05     0.07   0.07   0.01
    23   1    -0.01  -0.06  -0.02    -0.03   0.02  -0.01     0.03  -0.13  -0.02
    24   1    -0.04  -0.18  -0.03    -0.07  -0.18  -0.05     0.08   0.16   0.04
    25   1    -0.00   0.02  -0.06    -0.04  -0.02   0.03     0.05   0.04  -0.09
    26   1    -0.01   0.08  -0.19    -0.04   0.09  -0.20     0.05  -0.04   0.08
    27   1    -0.00   0.08  -0.17    -0.04   0.07  -0.19     0.05  -0.06   0.15
    28   1     0.10  -0.07  -0.06    -0.21   0.15   0.11     0.12   0.16   0.00
    29   6     0.01  -0.01   0.01    -0.03  -0.03  -0.07     0.03  -0.02  -0.09
    30   1    -0.12  -0.01  -0.09     0.13   0.00   0.09    -0.02   0.31   0.08
    31   1    -0.06  -0.08  -0.11     0.07   0.12   0.18    -0.05   0.12   0.21
    32   1    -0.03   0.14   0.08     0.01  -0.30  -0.15    -0.06  -0.07   0.14
    33   1    -0.06   0.03  -0.04     0.07  -0.15  -0.01    -0.09  -0.43  -0.24
                     31                     32                     33
                      A                      A                      A
 Frequencies --    852.3833               857.0206               872.5558
 Red. masses --      2.4864                 1.4125                 1.9313
 Frc consts  --      1.0644                 0.6112                 0.8664
 IR Inten    --      7.1040                 1.1679                21.3620
 RamAct Fr= 1--     10.5803                 2.1258                 2.1461
  Dep-P Fr= 1--      0.1743                 0.3857                 0.6012
  Dep-U Fr= 1--      0.2969                 0.5567                 0.7510
 Alpha2 Fr= 1--      0.1537                 0.0166                 0.0059
 Beta2  Fr= 1--      0.5236                 0.1972                 0.2686
 AlphaG Fr= 1--     -0.0979                -0.0112                -0.0078
 Gamma2 Fr= 1--      0.6280                -0.7304                 0.0670
 Delta2 Fr= 1--     -0.0833                -0.6354                 0.1642
 Raman1 Fr= 1--      42.321                  8.503                  8.584
 ROA1   Fr= 1--      57.622                -90.446                 11.690
 CID1   Fr= 1--       1.362                -10.637                  1.362
 Raman2 Fr= 1--       6.283                  2.367                  3.223
 ROA2   Fr= 1--      15.738                -12.446                  0.295
 CID2   Fr= 1--       2.505                 -5.258                  0.091
 Raman3 Fr= 1--      12.566                  4.734                  6.447
 ROA3   Fr= 1--      57.622                -90.446                 11.690
 CID3   Fr= 1--       4.585                -19.106                  1.813
 RC180  Fr= 1--      -0.406                  0.113                  0.502
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.10  -0.06    -0.02   0.07   0.03     0.03   0.00  -0.10
     2   6     0.04  -0.02  -0.02     0.01   0.00   0.01    -0.03   0.05   0.09
     3   6     0.02   0.11  -0.04    -0.01   0.07   0.04     0.05   0.01  -0.09
     4   6     0.01  -0.05  -0.08    -0.01   0.00   0.00    -0.05   0.05   0.08
     5   6    -0.02  -0.04   0.13     0.02  -0.07  -0.04     0.02  -0.08  -0.00
     6   6    -0.05  -0.07   0.10     0.00  -0.07  -0.04    -0.01  -0.08  -0.01
     7   6    -0.06   0.01  -0.01    -0.02  -0.01  -0.00    -0.06  -0.00  -0.05
     8   6     0.01   0.02   0.04     0.00   0.00   0.01     0.02  -0.01  -0.03
     9   6    -0.00  -0.06   0.01     0.00  -0.01   0.00     0.01   0.02  -0.01
    10   6     0.01   0.04  -0.04     0.00   0.01  -0.01     0.01  -0.02   0.02
    11   6     0.13  -0.03  -0.01     0.06   0.02  -0.03     0.07   0.04  -0.03
    12   6    -0.12  -0.01  -0.04    -0.02  -0.02   0.01     0.02  -0.02   0.04
    13   8     0.01  -0.05   0.03    -0.01  -0.03   0.01    -0.02  -0.03   0.01
    14   8     0.01   0.04   0.04    -0.01   0.03   0.01    -0.02   0.03   0.01
    15   1    -0.09   0.02  -0.12     0.12  -0.21  -0.41    -0.22   0.30   0.42
    16   1     0.08   0.08  -0.01     0.20  -0.21  -0.38    -0.11   0.29   0.42
    17   1     0.25  -0.28  -0.36    -0.14   0.20   0.42    -0.03   0.08   0.23
    18   1     0.07  -0.30  -0.41    -0.19   0.18   0.35    -0.14   0.06   0.18
    19   1    -0.14   0.02   0.01    -0.03  -0.00  -0.03     0.01  -0.02  -0.01
    20   1    -0.13   0.02   0.01    -0.03   0.02   0.01    -0.01  -0.06  -0.08
    21   1    -0.02   0.05   0.08    -0.01   0.02   0.03    -0.05   0.04   0.09
    22   1    -0.03  -0.12  -0.03    -0.01  -0.02  -0.00    -0.03   0.06   0.01
    23   1    -0.01   0.01  -0.01    -0.00   0.03  -0.00    -0.02   0.07   0.03
    24   1    -0.03  -0.06  -0.03    -0.02  -0.03  -0.01    -0.03  -0.07  -0.00
    25   1    -0.01  -0.02   0.00    -0.00   0.00   0.00    -0.04  -0.03   0.11
    26   1    -0.01   0.05  -0.12    -0.01   0.01  -0.02    -0.05  -0.01   0.06
    27   1    -0.02   0.01  -0.07    -0.00   0.01  -0.02    -0.03   0.05  -0.08
    28   1     0.23  -0.05  -0.09     0.09   0.02  -0.03     0.07   0.06   0.01
    29   6     0.05   0.04   0.04     0.02  -0.00  -0.02     0.02  -0.03  -0.06
    30   1    -0.06   0.13   0.01    -0.02   0.09   0.02     0.01   0.09   0.04
    31   1    -0.08  -0.03  -0.03    -0.04   0.01   0.04    -0.06   0.01   0.06
    32   1    -0.03   0.25   0.20    -0.03   0.05   0.10    -0.05   0.04   0.11
    33   1    -0.09  -0.05  -0.09    -0.05  -0.13  -0.09    -0.08  -0.24  -0.17
                     34                     35                     36
                      A                      A                      A
 Frequencies --    900.4688               942.5540               958.2125
 Red. masses --      1.5435                 1.2142                 1.5395
 Frc consts  --      0.7374                 0.6355                 0.8328
 IR Inten    --      0.2029                 0.3146                 0.0826
 RamAct Fr= 1--      0.5792                 0.2285                 4.0683
  Dep-P Fr= 1--      0.7330                 0.7478                 0.7366
  Dep-U Fr= 1--      0.8459                 0.8557                 0.8483
 Alpha2 Fr= 1--      0.0002                 0.0000                 0.0009
 Beta2  Fr= 1--      0.0817                 0.0326                 0.5752
 AlphaG Fr= 1--      0.0003                -0.0002                 0.0069
 Gamma2 Fr= 1--     -0.4818                 0.0469                -0.1361
 Delta2 Fr= 1--     -0.3941                 0.0263                 1.0017
 Raman1 Fr= 1--       2.317                  0.914                 16.273
 ROA1   Fr= 1--     -58.861                  5.343                 18.988
 CID1   Fr= 1--     -25.408                  5.844                  1.167
 Raman2 Fr= 1--       0.980                  0.391                  6.902
 ROA2   Fr= 1--      -8.410                  0.915                -11.280
 CID2   Fr= 1--      -8.583                  2.340                 -1.634
 Raman3 Fr= 1--       1.960                  0.782                 13.805
 ROA3   Fr= 1--     -58.861                  5.343                 18.988
 CID3   Fr= 1--     -30.035                  6.830                  1.375
 RC180  Fr= 1--       0.692                  0.711                  0.697
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.03   0.02    -0.00  -0.01   0.01     0.00   0.00  -0.00
     2   6     0.00   0.01  -0.01     0.00   0.01  -0.00    -0.01  -0.00  -0.00
     3   6    -0.03  -0.01   0.00    -0.01  -0.00   0.00     0.00   0.02   0.01
     4   6     0.00   0.01  -0.01     0.00   0.01  -0.00     0.00  -0.01  -0.02
     5   6     0.03  -0.01   0.01     0.01  -0.00   0.00    -0.03   0.04   0.09
     6   6     0.01  -0.03   0.02     0.00  -0.01   0.01     0.04  -0.05  -0.08
     7   6     0.02   0.15  -0.08     0.01   0.06  -0.03    -0.06   0.04   0.05
     8   6     0.01   0.05  -0.02    -0.00  -0.02   0.01     0.02  -0.04  -0.07
     9   6    -0.05  -0.05  -0.02     0.03  -0.01   0.07     0.02   0.05  -0.04
    10   6     0.04  -0.02   0.05    -0.03  -0.06  -0.04     0.01  -0.06   0.02
    11   6    -0.00  -0.01   0.00    -0.00  -0.00  -0.00    -0.00  -0.01  -0.01
    12   6    -0.01   0.00  -0.01    -0.00   0.00  -0.00    -0.00   0.00   0.00
    13   8     0.00   0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    14   8     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    15   1    -0.01  -0.07  -0.03    -0.01  -0.02   0.00    -0.01   0.03   0.04
    16   1    -0.05  -0.02  -0.07    -0.03   0.00  -0.02     0.07  -0.07  -0.11
    17   1     0.05   0.04   0.05     0.03   0.01   0.02     0.22  -0.28  -0.49
    18   1     0.02  -0.03   0.04     0.01  -0.02   0.01    -0.19   0.28   0.50
    19   1     0.02   0.07   0.51     0.03   0.02   0.21    -0.06   0.04   0.05
    20   1    -0.06  -0.38  -0.34    -0.04  -0.16  -0.14    -0.06   0.02   0.04
    21   1    -0.02  -0.19   0.10     0.03   0.25  -0.14     0.03  -0.05  -0.08
    22   1     0.13  -0.00   0.01    -0.13  -0.42  -0.15     0.01   0.24   0.07
    23   1     0.03  -0.35  -0.04     0.04   0.36  -0.11    -0.02   0.01   0.06
    24   1     0.11   0.14   0.05    -0.06   0.14  -0.15    -0.01  -0.11   0.04
    25   1    -0.09  -0.15   0.30     0.04   0.29  -0.24    -0.02   0.05   0.05
    26   1    -0.13   0.02  -0.03     0.06  -0.12   0.44    -0.04  -0.08   0.25
    27   1    -0.08   0.05  -0.15     0.10   0.18  -0.03     0.01   0.11  -0.09
    28   1    -0.02  -0.03  -0.02    -0.01  -0.01  -0.01     0.00  -0.02  -0.02
    29   6     0.00  -0.00   0.01     0.00  -0.00   0.00    -0.00   0.01   0.02
    30   1    -0.00  -0.01  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    31   1    -0.01  -0.03  -0.04    -0.00  -0.01  -0.01     0.01   0.00  -0.01
    32   1     0.00   0.03   0.00     0.00   0.01   0.00     0.01   0.01  -0.01
    33   1    -0.00   0.04   0.01    -0.00   0.01   0.00     0.01   0.04   0.03
                     37                     38                     39
                      A                      A                      A
 Frequencies --    969.7335               973.7294               982.2434
 Red. masses --      1.6949                 1.5758                 1.4190
 Frc consts  --      0.9391                 0.8803                 0.8066
 IR Inten    --      0.2378                 0.0160                 0.1738
 RamAct Fr= 1--      4.4990                 3.0974                 1.1475
  Dep-P Fr= 1--      0.7450                 0.7496                 0.7316
  Dep-U Fr= 1--      0.8539                 0.8569                 0.8450
 Alpha2 Fr= 1--      0.0004                 0.0000                 0.0004
 Beta2  Fr= 1--      0.6403                 0.4423                 0.1616
 AlphaG Fr= 1--     -0.0074                -0.0003                 0.0001
 Gamma2 Fr= 1--      1.3203                 0.0348                -0.9268
 Delta2 Fr= 1--     -0.7197                -0.0500                 0.0662
 Raman1 Fr= 1--      17.996                 12.390                  4.590
 ROA1   Fr= 1--     103.716                  1.739                -86.854
 CID1   Fr= 1--       5.763                  0.140                -18.923
 Raman2 Fr= 1--       7.683                  5.308                  1.939
 ROA2   Fr= 1--      37.445                  1.235                -22.773
 CID2   Fr= 1--       4.874                  0.233                -11.744
 Raman3 Fr= 1--      15.366                 10.616                  3.878
 ROA3   Fr= 1--     103.716                  1.739                -86.854
 CID3   Fr= 1--       6.750                  0.164                -22.395
 RC180  Fr= 1--       0.708                  0.714                  0.690
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.02   0.03     0.00   0.01  -0.00     0.04  -0.06  -0.09
     2   6     0.00   0.02   0.04    -0.00  -0.01  -0.00    -0.00   0.02   0.03
     3   6     0.01  -0.04  -0.04     0.01   0.00  -0.00    -0.04   0.04   0.09
     4   6     0.00   0.00   0.00     0.00  -0.00   0.00    -0.00  -0.01  -0.02
     5   6    -0.03   0.05   0.04    -0.00  -0.00  -0.01    -0.01   0.01  -0.00
     6   6     0.03  -0.04  -0.08    -0.00   0.01   0.00     0.01   0.00  -0.01
     7   6     0.07  -0.06  -0.08    -0.01  -0.04   0.03     0.03  -0.03  -0.04
     8   6    -0.04   0.05   0.09    -0.01  -0.10   0.05    -0.02   0.02   0.04
     9   6    -0.03  -0.06   0.06    -0.05   0.11   0.06    -0.01  -0.02   0.02
    10   6    -0.00   0.08  -0.03     0.07  -0.01  -0.11     0.00   0.03  -0.01
    11   6     0.00  -0.00   0.00     0.00   0.00   0.00    -0.00  -0.01  -0.02
    12   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
    13   8    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    14   8    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    15   1     0.07  -0.12  -0.18     0.00   0.01  -0.00    -0.21   0.32   0.54
    16   1    -0.13   0.15   0.26     0.01   0.00   0.01     0.21  -0.33  -0.51
    17   1     0.10  -0.16  -0.32    -0.02   0.01   0.02     0.01  -0.02  -0.05
    18   1    -0.17   0.24   0.42     0.01  -0.01  -0.04    -0.02   0.05   0.07
    19   1     0.12  -0.07  -0.08     0.01  -0.03  -0.11     0.08  -0.04  -0.05
    20   1     0.12  -0.05  -0.08    -0.01   0.08   0.09     0.07  -0.03  -0.04
    21   1    -0.07   0.07   0.16    -0.03  -0.33   0.17    -0.05   0.04   0.09
    22   1    -0.02  -0.34  -0.09     0.15  -0.08  -0.04    -0.02  -0.14  -0.04
    23   1     0.03   0.01  -0.08     0.09  -0.13  -0.10     0.01   0.02  -0.03
    24   1     0.01   0.18  -0.06     0.16   0.53   0.03     0.00   0.07  -0.03
    25   1     0.01  -0.07  -0.01    -0.10   0.04   0.16    -0.00  -0.04   0.01
    26   1     0.01   0.10  -0.31    -0.16   0.01   0.11     0.00   0.05  -0.14
    27   1    -0.03  -0.11   0.06    -0.06   0.30  -0.48    -0.02  -0.05   0.02
    28   1    -0.00   0.00   0.01     0.01   0.01   0.01    -0.01  -0.03  -0.07
    29   6     0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.02   0.02
    30   1     0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.01   0.00
    31   1     0.00   0.00   0.00     0.00   0.01   0.01    -0.01  -0.01  -0.02
    32   1    -0.00   0.00   0.00    -0.00  -0.01  -0.00     0.01   0.04   0.01
    33   1    -0.00  -0.01  -0.00     0.00  -0.01  -0.00    -0.00   0.05   0.02
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1014.6060              1046.9044              1083.7729
 Red. masses --      1.9204                 2.8566                 2.1263
 Frc consts  --      1.1648                 1.8447                 1.4715
 IR Inten    --      2.2265                 4.5330                54.6746
 RamAct Fr= 1--     10.8688                 0.0505                 2.4681
  Dep-P Fr= 1--      0.2727                 0.3088                 0.7282
  Dep-U Fr= 1--      0.4286                 0.4719                 0.8427
 Alpha2 Fr= 1--      0.1208                 0.0005                 0.0009
 Beta2  Fr= 1--      0.7763                 0.0040                 0.3467
 AlphaG Fr= 1--      0.0309                -0.0006                 0.0095
 Gamma2 Fr= 1--      0.4499                -0.0319                -2.6445
 Delta2 Fr= 1--     -0.6766                 0.1474                -1.1647
 Raman1 Fr= 1--      43.475                  0.202                  9.872
 ROA1   Fr= 1--      21.543                  1.658               -291.139
 CID1   Fr= 1--       0.496                  8.212                -29.490
 Raman2 Fr= 1--       9.316                  0.048                  4.160
 ROA2   Fr= 1--      16.212                 -1.944                -54.149
 CID2   Fr= 1--       1.740                -40.795                -13.017
 Raman3 Fr= 1--      18.632                  0.095                  8.320
 ROA3   Fr= 1--      21.543                  1.658               -291.139
 CID3   Fr= 1--       1.156                 17.403                -34.994
 RC180  Fr= 1--      -0.143                 -0.056                  0.685
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04   0.04  -0.06     0.00  -0.17   0.10     0.01  -0.02   0.01
     2   6    -0.00  -0.01   0.01    -0.03  -0.01  -0.01    -0.01   0.04  -0.02
     3   6    -0.01   0.05   0.00     0.05   0.18  -0.09    -0.02  -0.00   0.00
     4   6     0.07  -0.03   0.02    -0.04  -0.01  -0.01     0.05   0.03  -0.01
     5   6    -0.00   0.02   0.00     0.01  -0.17   0.10     0.02  -0.04   0.04
     6   6    -0.03  -0.04   0.01     0.05   0.18  -0.09    -0.05  -0.04   0.00
     7   6     0.01   0.01  -0.01     0.01  -0.00   0.00     0.01   0.02  -0.01
     8   6     0.00   0.01  -0.00     0.00   0.01   0.00    -0.00  -0.07   0.04
     9   6    -0.00  -0.01   0.00    -0.01  -0.00   0.00     0.02   0.03  -0.01
    10   6    -0.00  -0.00   0.01    -0.00   0.00   0.00    -0.02   0.03  -0.02
    11   6     0.03   0.03   0.18     0.01  -0.01   0.02     0.04   0.19   0.03
    12   6    -0.06   0.02  -0.05    -0.01   0.01  -0.00    -0.05   0.05   0.06
    13   8     0.03   0.03  -0.01     0.00   0.01  -0.00    -0.00   0.00   0.01
    14   8     0.02  -0.02  -0.01     0.00  -0.00  -0.00     0.02  -0.09  -0.03
    15   1    -0.14   0.05   0.01    -0.30  -0.34   0.09     0.06   0.00   0.02
    16   1     0.03  -0.03  -0.16    -0.19   0.30  -0.26    -0.16   0.06  -0.12
    17   1     0.00  -0.02  -0.06    -0.28  -0.34   0.07     0.10  -0.02   0.02
    18   1    -0.01  -0.04   0.04    -0.19   0.31  -0.24    -0.18   0.02  -0.06
    19   1    -0.03   0.01   0.02     0.02  -0.00   0.00     0.25  -0.05   0.02
    20   1     0.04  -0.02  -0.02     0.05  -0.01  -0.01    -0.27   0.00   0.01
    21   1     0.01   0.01  -0.01     0.02  -0.01  -0.02     0.01  -0.11   0.02
    22   1     0.00  -0.03  -0.01     0.01  -0.03  -0.01    -0.01   0.10   0.03
    23   1     0.00  -0.01  -0.01     0.01  -0.01  -0.01    -0.01   0.07   0.04
    24   1     0.00   0.02  -0.01     0.01   0.03  -0.00    -0.01  -0.05   0.02
    25   1     0.00  -0.00   0.00     0.00  -0.00  -0.01     0.03   0.01  -0.11
    26   1     0.00  -0.00   0.01     0.01   0.00  -0.01     0.05   0.03  -0.11
    27   1     0.00  -0.00   0.01     0.00  -0.01   0.02     0.01  -0.06   0.07
    28   1     0.21   0.27   0.54     0.06   0.04   0.10     0.16   0.06  -0.27
    29   6    -0.07  -0.05  -0.12     0.01   0.00  -0.02    -0.05  -0.13   0.02
    30   1     0.02  -0.07  -0.02     0.00  -0.01  -0.00     0.01   0.28   0.03
    31   1     0.12   0.15   0.21    -0.01   0.04   0.06     0.05  -0.31  -0.38
    32   1    -0.01  -0.50  -0.22    -0.01  -0.03   0.03     0.05   0.02  -0.25
    33   1     0.11  -0.22   0.02    -0.00  -0.08  -0.03     0.02   0.31   0.11
                     43                     44                     45
                      A                      A                      A
 Frequencies --   1095.0043              1103.8368              1110.1409
 Red. masses --      1.5980                 2.0355                 1.4810
 Frc consts  --      1.1289                 1.4613                 1.0754
 IR Inten    --      7.0088                45.9944                 0.8120
 RamAct Fr= 1--      0.8259                 6.8317                 3.5524
  Dep-P Fr= 1--      0.3359                 0.2274                 0.1466
  Dep-U Fr= 1--      0.5028                 0.3706                 0.2556
 Alpha2 Fr= 1--      0.0076                 0.0862                 0.0554
 Beta2  Fr= 1--      0.0692                 0.4220                 0.1514
 AlphaG Fr= 1--     -0.0129                 0.0557                 0.0104
 Gamma2 Fr= 1--     -0.2746                 1.6853                -0.1491
 Delta2 Fr= 1--     -0.3268                 3.4814                 0.0363
 Raman1 Fr= 1--       3.304                 27.327                 14.210
 ROA1   Fr= 1--     -36.821                273.190                -13.148
 CID1   Fr= 1--     -11.145                  9.997                 -0.925
 Raman2 Fr= 1--       0.831                  5.064                  1.816
 ROA2   Fr= 1--      -3.977                 12.595                 -3.867
 CID2   Fr= 1--      -4.788                  2.487                 -2.129
 Raman3 Fr= 1--       1.661                 10.128                  3.633
 ROA3   Fr= 1--     -36.821                273.190                -13.148
 CID3   Fr= 1--     -22.165                 26.975                 -3.620
 RC180  Fr= 1--       0.006                 -0.259                 -0.489
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.04   0.03     0.02   0.01   0.00     0.01   0.01  -0.02
     2   6     0.02   0.04  -0.02     0.02  -0.03   0.01    -0.08   0.02   0.02
     3   6    -0.03  -0.03   0.01     0.00  -0.01   0.02     0.02   0.01   0.00
     4   6    -0.02   0.01  -0.05    -0.03  -0.02  -0.06    -0.00  -0.00  -0.01
     5   6     0.01  -0.00   0.01    -0.03   0.01  -0.00     0.02  -0.01   0.02
     6   6     0.00  -0.02   0.02     0.02   0.04  -0.01     0.00  -0.01  -0.01
     7   6     0.00   0.04  -0.02    -0.01  -0.04   0.03    -0.01  -0.02  -0.03
     8   6    -0.02  -0.09   0.05    -0.01   0.09  -0.05     0.14  -0.00   0.01
     9   6     0.04   0.04  -0.02    -0.02  -0.04   0.01    -0.08   0.01   0.02
    10   6    -0.02   0.04  -0.03     0.04  -0.04   0.03    -0.07   0.02   0.01
    11   6    -0.05  -0.03   0.08    -0.06   0.12   0.09    -0.02   0.00   0.01
    12   6    -0.00  -0.00  -0.03    -0.04   0.05   0.04    -0.00   0.00  -0.00
    13   8     0.02   0.02  -0.01     0.02   0.03  -0.02     0.00   0.01  -0.00
    14   8     0.00   0.02   0.00     0.02  -0.08  -0.03     0.00  -0.00  -0.00
    15   1     0.09  -0.02   0.02     0.07   0.04   0.00     0.06   0.08   0.04
    16   1    -0.09  -0.02  -0.07     0.12  -0.09   0.04     0.07  -0.01   0.03
    17   1     0.17   0.06  -0.01    -0.06  -0.04  -0.06     0.06   0.00   0.02
    18   1    -0.02  -0.01   0.00     0.03   0.03  -0.03     0.03  -0.01   0.08
    19   1     0.36  -0.06   0.06    -0.27   0.04  -0.08    -0.26   0.03   0.03
    20   1    -0.35  -0.02  -0.02     0.34   0.02   0.03    -0.21   0.06   0.03
    21   1    -0.05  -0.12   0.11    -0.04   0.17  -0.01     0.37  -0.23  -0.37
    22   1    -0.04   0.16   0.04     0.00  -0.12  -0.03     0.16  -0.06  -0.02
    23   1    -0.03   0.14   0.07     0.01  -0.07  -0.04     0.06  -0.28  -0.10
    24   1    -0.03  -0.12   0.01    -0.00   0.03  -0.02     0.14   0.31   0.08
    25   1     0.03   0.00  -0.11    -0.05  -0.01   0.16     0.09   0.05  -0.26
    26   1     0.04   0.04  -0.14    -0.07  -0.03   0.14     0.16  -0.02  -0.03
    27   1    -0.00  -0.05   0.05    -0.02   0.08  -0.12     0.09  -0.12   0.30
    28   1    -0.31   0.02   0.27    -0.21   0.06   0.05    -0.08  -0.00   0.03
    29   6     0.08   0.00  -0.04     0.10  -0.09  -0.04     0.02  -0.01  -0.01
    30   1     0.00  -0.14  -0.03     0.00   0.13  -0.00     0.00  -0.02  -0.01
    31   1    -0.17   0.02   0.09    -0.23  -0.24  -0.19    -0.05  -0.02  -0.01
    32   1    -0.06   0.16   0.28    -0.04   0.33   0.25    -0.01   0.07   0.07
    33   1    -0.12  -0.31  -0.25    -0.19  -0.18  -0.30    -0.04  -0.05  -0.06
                     46                     47                     48
                      A                      A                      A
 Frequencies --   1146.1907              1161.8647              1202.8117
 Red. masses --      1.5531                 2.0650                 2.0119
 Frc consts  --      1.2022                 1.6424                 1.7150
 IR Inten    --     46.6366               157.5915                 0.7332
 RamAct Fr= 1--      1.3776                 1.0288                 7.3456
  Dep-P Fr= 1--      0.2609                 0.7027                 0.2891
  Dep-U Fr= 1--      0.4139                 0.8254                 0.4485
 Alpha2 Fr= 1--      0.0158                 0.0008                 0.0778
 Beta2  Fr= 1--      0.0950                 0.1415                 0.5491
 AlphaG Fr= 1--      0.0032                -0.0074                -0.0258
 Gamma2 Fr= 1--     -0.1811                -1.2916                -0.2274
 Delta2 Fr= 1--     -0.1868                -0.5118                 0.2347
 Raman1 Fr= 1--       5.510                  4.115                 29.383
 ROA1   Fr= 1--     -23.365               -140.377                -14.322
 CID1   Fr= 1--      -4.240                -34.112                 -0.487
 Raman2 Fr= 1--       1.140                  1.698                  6.589
 ROA2   Fr= 1--      -2.853                -26.905                 -7.335
 CID2   Fr= 1--      -2.502                -15.842                 -1.113
 Raman3 Fr= 1--       2.281                  3.397                 13.178
 ROA3   Fr= 1--     -23.365               -140.377                -14.322
 CID3   Fr= 1--     -10.245                -41.328                 -1.087
 RC180  Fr= 1--      -0.172                  0.651                 -0.103
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.05   0.00  -0.02    -0.05   0.01  -0.02     0.02  -0.01   0.01
     2   6    -0.00  -0.02   0.01    -0.00  -0.01   0.00     0.06   0.02   0.04
     3   6     0.05   0.02   0.01     0.05   0.01   0.02    -0.03  -0.02  -0.00
     4   6    -0.05  -0.04   0.01     0.05   0.00   0.00    -0.03  -0.00  -0.01
     5   6    -0.06   0.03  -0.04    -0.04  -0.01  -0.00    -0.02   0.02  -0.02
     6   6     0.08   0.02   0.02     0.03   0.00   0.01     0.02   0.01  -0.00
     7   6     0.00   0.04  -0.03     0.00   0.01  -0.01     0.02  -0.03  -0.06
     8   6    -0.00  -0.05   0.03    -0.00  -0.01   0.01     0.04   0.09   0.18
     9   6     0.02   0.02  -0.01     0.01   0.00  -0.00    -0.05  -0.02  -0.12
    10   6    -0.02   0.02  -0.01    -0.00   0.01  -0.00    -0.05  -0.08  -0.09
    11   6    -0.00  -0.01  -0.01    -0.00   0.13   0.02     0.02   0.01   0.01
    12   6    -0.03   0.05   0.07     0.06  -0.11  -0.12     0.00  -0.00  -0.00
    13   8     0.01   0.02  -0.01    -0.02  -0.04   0.03    -0.00  -0.00   0.00
    14   8     0.01  -0.07  -0.02    -0.01   0.13   0.02    -0.00   0.01   0.00
    15   1    -0.37  -0.17  -0.05    -0.29  -0.12  -0.04    -0.06  -0.04   0.02
    16   1     0.33  -0.11   0.21     0.24  -0.08   0.12    -0.04  -0.01  -0.01
    17   1    -0.33  -0.12  -0.06    -0.33  -0.20  -0.05    -0.02   0.02  -0.02
    18   1     0.44  -0.15   0.26     0.17  -0.07   0.11    -0.06   0.06  -0.03
    19   1     0.11  -0.00   0.09     0.03   0.00   0.03    -0.09  -0.01   0.00
    20   1    -0.14  -0.05  -0.06    -0.03  -0.02  -0.02    -0.08   0.03  -0.02
    21   1    -0.00  -0.10   0.05    -0.01  -0.03   0.02    -0.04   0.18   0.33
    22   1    -0.01   0.07   0.02    -0.01   0.02   0.00     0.11   0.34   0.09
    23   1    -0.01   0.06   0.03    -0.00   0.02   0.01    -0.09  -0.37   0.13
    24   1    -0.01  -0.04   0.00    -0.01  -0.01  -0.00     0.08  -0.19   0.17
    25   1     0.02   0.01  -0.08     0.00  -0.00  -0.01    -0.01   0.32  -0.24
    26   1     0.03   0.02  -0.06     0.00   0.01  -0.02     0.05  -0.12   0.34
    27   1     0.00  -0.03   0.05    -0.00  -0.01   0.01     0.12   0.23  -0.06
    28   1     0.20  -0.01  -0.10    -0.31   0.11   0.12     0.06   0.02   0.02
    29   6     0.01   0.01  -0.01    -0.01  -0.09   0.03    -0.01  -0.01   0.00
    30   1    -0.02   0.25   0.03     0.04  -0.47  -0.06     0.00  -0.02  -0.00
    31   1    -0.01   0.04   0.05    -0.02  -0.23  -0.25     0.02  -0.01  -0.01
    32   1    -0.01   0.00   0.04     0.03   0.13  -0.09     0.00  -0.01  -0.02
    33   1    -0.01  -0.05  -0.04    -0.04   0.19   0.03     0.01   0.02   0.02
                     49                     50                     51
                      A                      A                      A
 Frequencies --   1213.1278              1223.4806              1236.4778
 Red. masses --      1.3080                 2.0005                 2.4868
 Frc consts  --      1.1342                 1.7643                 2.2400
 IR Inten    --      4.4393                12.7242                 2.1598
 RamAct Fr= 1--     38.1083                31.5460                29.6873
  Dep-P Fr= 1--      0.0872                 0.1775                 0.1792
  Dep-U Fr= 1--      0.1604                 0.3014                 0.3040
 Alpha2 Fr= 1--      0.6884                 0.4545                 0.4258
 Beta2  Fr= 1--      1.0189                 1.5848                 1.5040
 AlphaG Fr= 1--      0.0559                -0.0044                 0.0441
 Gamma2 Fr= 1--      1.8321                 1.7735                 0.0450
 Delta2 Fr= 1--     -0.1502                -0.2313                -0.2815
 Raman1 Fr= 1--     152.433                126.184                118.749
 ROA1   Fr= 1--     171.079                162.850                 -4.689
 CID1   Fr= 1--       1.122                  1.291                 -0.039
 Raman2 Fr= 1--      12.227                 19.018                 18.049
 ROA2   Fr= 1--      45.172                 44.414                  3.332
 CID2   Fr= 1--       3.694                  2.335                  0.185
 Raman3 Fr= 1--      24.454                 38.036                 36.097
 ROA3   Fr= 1--     171.079                162.850                 -4.689
 CID3   Fr= 1--       6.996                  4.282                 -0.130
 RC180  Fr= 1--      -0.679                 -0.397                 -0.392
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.04   0.02    -0.09   0.01  -0.04     0.03  -0.00   0.01
     2   6     0.03  -0.00   0.01    -0.03   0.00  -0.02     0.27   0.04   0.10
     3   6     0.01  -0.03   0.02     0.08  -0.01   0.04    -0.06  -0.06   0.01
     4   6    -0.10  -0.02  -0.03     0.20   0.04   0.06     0.05   0.03   0.01
     5   6     0.02   0.04  -0.02     0.06  -0.01   0.03    -0.07   0.04  -0.05
     6   6    -0.00   0.05  -0.03    -0.08  -0.03  -0.01     0.04  -0.01   0.02
     7   6    -0.02   0.00  -0.00     0.03  -0.00   0.01    -0.11  -0.02  -0.03
     8   6     0.01  -0.01  -0.02    -0.01   0.02   0.02     0.04  -0.03  -0.09
     9   6     0.00   0.00   0.01    -0.00  -0.01  -0.01    -0.02   0.00   0.03
    10   6    -0.00   0.01   0.01     0.00  -0.01  -0.01     0.00   0.02   0.03
    11   6     0.04   0.02   0.02    -0.07  -0.03  -0.03     0.01  -0.01  -0.00
    12   6     0.00  -0.01  -0.01    -0.01   0.02   0.02    -0.01   0.01  -0.00
    13   8    -0.00  -0.01   0.01     0.01   0.02  -0.01     0.00   0.01  -0.00
    14   8     0.00   0.02   0.00    -0.00  -0.04  -0.00    -0.00  -0.01   0.00
    15   1    -0.32  -0.22   0.00    -0.49  -0.20  -0.07    -0.28  -0.18  -0.00
    16   1     0.36  -0.20   0.27     0.23  -0.07   0.14    -0.29   0.04  -0.14
    17   1     0.49   0.32   0.02     0.07  -0.01   0.03    -0.36  -0.13  -0.07
    18   1    -0.27   0.18  -0.21    -0.40   0.12  -0.22    -0.23   0.13  -0.17
    19   1    -0.04   0.01  -0.01     0.07  -0.01  -0.02    -0.28   0.03  -0.06
    20   1    -0.04  -0.01  -0.01     0.03  -0.00   0.01    -0.44   0.05   0.03
    21   1     0.01  -0.02  -0.02    -0.00   0.04   0.02    -0.00   0.07  -0.05
    22   1    -0.00  -0.03  -0.01     0.00   0.03   0.01     0.03  -0.09  -0.02
    23   1     0.01   0.03  -0.02    -0.01  -0.04   0.02     0.04   0.01  -0.08
    24   1     0.00   0.04  -0.01     0.01  -0.03   0.01     0.01   0.14  -0.03
    25   1     0.01  -0.03   0.00    -0.01   0.04  -0.00     0.01  -0.09   0.04
    26   1     0.01   0.01  -0.04    -0.01  -0.01   0.04     0.02   0.02  -0.05
    27   1    -0.01  -0.03   0.03     0.01   0.03  -0.03    -0.02  -0.08   0.07
    28   1     0.23   0.08   0.06    -0.44  -0.17  -0.12    -0.16  -0.06  -0.03
    29   6    -0.01  -0.02   0.00     0.02   0.04  -0.01    -0.01   0.01  -0.00
    30   1     0.01  -0.08  -0.01    -0.02   0.18   0.02    -0.01   0.09   0.02
    31   1     0.03  -0.03  -0.03    -0.05   0.06   0.06     0.01   0.03   0.02
    32   1     0.00   0.01  -0.03    -0.01  -0.01   0.05    -0.00  -0.05  -0.01
    33   1     0.01   0.05   0.03    -0.03  -0.08  -0.06     0.01  -0.03   0.01
                     52                     53                     54
                      A                      A                      A
 Frequencies --   1244.5435              1280.4830              1309.4038
 Red. masses --      1.3872                 1.7449                 1.5706
 Frc consts  --      1.2659                 1.6856                 1.5865
 IR Inten    --      0.7248                 2.6298                 1.0400
 RamAct Fr= 1--      6.3742                 5.0558                 7.2884
  Dep-P Fr= 1--      0.7482                 0.6508                 0.1755
  Dep-U Fr= 1--      0.8560                 0.7885                 0.2986
 Alpha2 Fr= 1--      0.0002                 0.0090                 0.1055
 Beta2  Fr= 1--      0.9094                 0.6644                 0.3628
 AlphaG Fr= 1--     -0.0030                 0.0049                 0.0374
 Gamma2 Fr= 1--     -0.1653                 2.0305                 0.1954
 Delta2 Fr= 1--      0.0470                 1.2768                 1.9493
 Raman1 Fr= 1--      25.497                 20.223                 29.154
 ROA1   Fr= 1--     -14.360                235.788                 81.137
 CID1   Fr= 1--      -0.563                 11.659                  2.783
 Raman2 Fr= 1--      10.912                  7.973                  4.353
 ROA2   Fr= 1--      -4.343                 38.518                -10.904
 CID2   Fr= 1--      -0.398                  4.831                 -2.505
 Raman3 Fr= 1--      21.825                 15.946                  8.706
 ROA3   Fr= 1--     -14.360                235.788                 81.137
 CID3   Fr= 1--      -0.658                 14.787                  9.319
 RC180  Fr= 1--       0.712                  0.577                 -0.403
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.04   0.01     0.01   0.03  -0.01     0.03   0.02  -0.00
     2   6    -0.02   0.07  -0.05     0.01  -0.02   0.02    -0.01  -0.01   0.03
     3   6     0.02  -0.01   0.01    -0.01   0.03  -0.02    -0.01   0.02  -0.02
     4   6    -0.02   0.03  -0.03     0.07  -0.09   0.07     0.01  -0.06   0.05
     5   6    -0.02  -0.03   0.01     0.03   0.04  -0.01     0.02   0.02  -0.01
     6   6     0.02  -0.03   0.02    -0.04   0.00  -0.02    -0.02   0.01  -0.02
     7   6     0.01  -0.04   0.03     0.00  -0.00  -0.00     0.06  -0.02  -0.03
     8   6     0.01   0.09  -0.04    -0.00   0.01  -0.01    -0.06   0.02   0.03
     9   6    -0.05  -0.03   0.00    -0.01  -0.00  -0.00     0.03  -0.01  -0.01
    10   6     0.05  -0.03   0.02     0.01  -0.00   0.00     0.03  -0.01  -0.00
    11   6     0.03  -0.01   0.01    -0.16   0.01  -0.01    -0.03  -0.02  -0.08
    12   6    -0.01  -0.00  -0.00     0.02   0.04   0.06     0.05  -0.07  -0.07
    13   8     0.00   0.00   0.00    -0.02  -0.05   0.01     0.00   0.05  -0.00
    14   8    -0.00  -0.00   0.00     0.02   0.03  -0.03    -0.03  -0.02   0.04
    15   1    -0.06  -0.06   0.01    -0.21  -0.09  -0.03    -0.11  -0.05  -0.00
    16   1     0.03  -0.01   0.02    -0.21   0.13  -0.17    -0.10   0.06  -0.07
    17   1     0.06   0.02   0.02     0.10   0.07  -0.02     0.09   0.07   0.01
    18   1     0.15  -0.10   0.11     0.04  -0.04   0.04     0.06  -0.02   0.05
    19   1     0.52  -0.14  -0.18     0.11  -0.03  -0.02    -0.17   0.03   0.07
    20   1    -0.43   0.17   0.16    -0.17   0.03   0.03    -0.29   0.08   0.06
    21   1     0.05   0.42  -0.23     0.01   0.10  -0.06     0.09  -0.08  -0.24
    22   1     0.05  -0.08  -0.02     0.01  -0.00  -0.00    -0.07   0.03   0.01
    23   1     0.02  -0.18  -0.07     0.00  -0.03  -0.01    -0.02   0.06   0.05
    24   1     0.02   0.09   0.01     0.01   0.02   0.00    -0.02  -0.05  -0.02
    25   1    -0.05  -0.02   0.18    -0.01  -0.01   0.03    -0.03  -0.00   0.10
    26   1    -0.07  -0.01   0.08    -0.01   0.00   0.01    -0.08   0.01   0.01
    27   1    -0.00   0.05  -0.10    -0.00   0.00  -0.02    -0.02   0.02  -0.08
    28   1    -0.01  -0.01   0.02     0.62   0.12  -0.16     0.03   0.28   0.46
    29   6    -0.01   0.00  -0.00     0.05  -0.00   0.01     0.02  -0.03   0.05
    30   1    -0.00   0.02   0.01     0.05  -0.46  -0.09    -0.08   0.53   0.10
    31   1     0.02   0.02   0.01    -0.14  -0.06  -0.03    -0.03  -0.11  -0.08
    32   1    -0.00  -0.03  -0.02     0.00   0.09   0.11     0.03   0.15   0.01
    33   1     0.02   0.00   0.02    -0.10  -0.03  -0.12    -0.05   0.13   0.01
                     55                     56                     57
                      A                      A                      A
 Frequencies --   1310.0898              1349.6116              1366.2049
 Red. masses --      1.5531                 2.2396                 1.4467
 Frc consts  --      1.5705                 2.4034                 1.5909
 IR Inten    --     12.3148                 0.1856                 0.1539
 RamAct Fr= 1--     21.7808                 1.8507                 1.0105
  Dep-P Fr= 1--      0.3583                 0.6952                 0.5553
  Dep-U Fr= 1--      0.5276                 0.8202                 0.7141
 Alpha2 Fr= 1--      0.1861                 0.0018                 0.0037
 Beta2  Fr= 1--      1.9151                 0.2530                 0.1203
 AlphaG Fr= 1--      0.0988                 0.0011                -0.0024
 Gamma2 Fr= 1--     -3.6189                -1.2751                 1.5616
 Delta2 Fr= 1--     -2.6265                -1.8756                 1.3420
 Raman1 Fr= 1--      87.123                  7.403                  4.042
 ROA1   Fr= 1--    -431.464               -182.424                192.856
 CID1   Fr= 1--      -4.952                -24.642                 47.714
 Raman2 Fr= 1--      22.982                  3.036                  1.443
 ROA2   Fr= 1--     -65.843                -15.596                 26.743
 CID2   Fr= 1--      -2.865                 -5.137                 18.531
 Raman3 Fr= 1--      45.963                  6.072                  2.886
 ROA3   Fr= 1--    -431.464               -182.424                192.856
 CID3   Fr= 1--      -9.387                -30.043                 66.819
 RC180  Fr= 1--       0.055                  0.640                  0.428
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.02   0.00    -0.09  -0.05  -0.00    -0.08  -0.03  -0.01
     2   6     0.02  -0.03  -0.02     0.02   0.16  -0.09    -0.00  -0.02   0.01
     3   6    -0.01   0.01  -0.01     0.11  -0.05   0.07     0.02  -0.00   0.01
     4   6     0.01  -0.04   0.03     0.03   0.07  -0.03     0.03   0.10  -0.04
     5   6     0.01   0.01  -0.00    -0.12  -0.07  -0.01    -0.01   0.00  -0.01
     6   6    -0.02   0.01  -0.01     0.07  -0.04   0.05     0.06  -0.03   0.04
     7   6    -0.10   0.04   0.05    -0.00  -0.04   0.02     0.00   0.02  -0.01
     8   6     0.11  -0.04  -0.05     0.01   0.06  -0.03    -0.00  -0.04   0.02
     9   6    -0.06   0.01   0.01     0.03  -0.00   0.02    -0.01   0.01  -0.01
    10   6    -0.05   0.01   0.01    -0.03  -0.01  -0.01     0.01   0.01   0.00
    11   6    -0.02  -0.01  -0.04    -0.04  -0.03  -0.03    -0.05  -0.04  -0.05
    12   6     0.03  -0.03  -0.04     0.01   0.00   0.00    -0.00   0.01   0.02
    13   8     0.00   0.03  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    14   8    -0.02  -0.01   0.02    -0.00  -0.00   0.00     0.00  -0.00  -0.00
    15   1    -0.05  -0.03  -0.03    -0.14  -0.08  -0.01     0.36   0.21   0.01
    16   1    -0.06   0.04  -0.05    -0.28   0.14  -0.20     0.22  -0.09   0.15
    17   1     0.04   0.03  -0.00     0.28   0.17   0.03    -0.29  -0.15  -0.02
    18   1     0.05  -0.04   0.01     0.11  -0.06   0.08    -0.35   0.17  -0.23
    19   1     0.45  -0.08  -0.13    -0.24   0.04  -0.05     0.01   0.01   0.03
    20   1     0.37  -0.14  -0.08     0.25   0.02   0.02    -0.01  -0.03  -0.03
    21   1    -0.16   0.26   0.38    -0.05  -0.46   0.25     0.03   0.23  -0.12
    22   1     0.13  -0.04  -0.02    -0.05  -0.08  -0.02     0.03   0.04   0.01
    23   1     0.03  -0.14  -0.09     0.03   0.06  -0.01    -0.02  -0.02   0.01
    24   1     0.04   0.12   0.05    -0.05  -0.05  -0.06     0.03   0.02   0.04
    25   1     0.05  -0.01  -0.15    -0.01   0.04  -0.04     0.01  -0.02   0.01
    26   1     0.13  -0.02  -0.03     0.04  -0.03   0.08    -0.02   0.02  -0.05
    27   1     0.02  -0.03   0.12     0.05   0.01   0.08    -0.03  -0.02  -0.04
    28   1     0.02   0.15   0.25     0.26   0.17   0.19     0.39   0.25   0.29
    29   6     0.01  -0.02   0.03     0.01  -0.00   0.02     0.02  -0.02   0.02
    30   1    -0.04   0.29   0.05    -0.01   0.02   0.00    -0.00  -0.03  -0.01
    31   1    -0.02  -0.06  -0.05    -0.05  -0.05  -0.04    -0.04  -0.05  -0.02
    32   1     0.01   0.08   0.01     0.01   0.02   0.01     0.01   0.08   0.02
    33   1    -0.03   0.07  -0.00    -0.03   0.03  -0.01    -0.05   0.08  -0.02
                     58                     59                     60
                      A                      A                      A
 Frequencies --   1375.3121              1388.0537              1392.6155
 Red. masses --      1.3987                 1.3537                 1.9977
 Frc consts  --      1.5588                 1.5366                 2.2826
 IR Inten    --      0.5105                 9.5340                45.3389
 RamAct Fr= 1--      1.5642                11.5163                 3.8885
  Dep-P Fr= 1--      0.7459                 0.4294                 0.7496
  Dep-U Fr= 1--      0.8544                 0.6008                 0.8569
 Alpha2 Fr= 1--      0.0001                 0.0765                 0.0000
 Beta2  Fr= 1--      0.2228                 1.1532                 0.5553
 AlphaG Fr= 1--      0.0022                 0.0311                -0.0019
 Gamma2 Fr= 1--     -0.0829                -0.1555                 1.6568
 Delta2 Fr= 1--     -0.1088                -0.3620                -1.1812
 Raman1 Fr= 1--       6.257                 46.065                 15.554
 ROA1   Fr= 1--     -11.436                -26.513                121.252
 CID1   Fr= 1--      -1.828                 -0.576                  7.796
 Raman2 Fr= 1--       2.673                 13.838                  6.664
 ROA2   Fr= 1--      -1.119                 -0.836                 49.213
 CID2   Fr= 1--      -0.418                 -0.060                  7.385
 Raman3 Fr= 1--       5.346                 27.676                 13.328
 ROA3   Fr= 1--     -11.436                -26.513                121.252
 CID3   Fr= 1--      -2.139                 -0.958                  9.097
 RC180  Fr= 1--       0.709                  0.202                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.00  -0.00    -0.02  -0.01  -0.00     0.03   0.01   0.00
     2   6     0.01   0.05  -0.03    -0.04   0.00  -0.01    -0.00   0.00   0.00
     3   6     0.04  -0.02   0.03     0.01   0.01  -0.00    -0.01  -0.00  -0.00
     4   6    -0.00  -0.01   0.00     0.00   0.00  -0.00    -0.01  -0.01   0.02
     5   6    -0.05  -0.03  -0.00     0.01  -0.01   0.01     0.02   0.00   0.00
     6   6     0.01   0.00   0.00    -0.01   0.01  -0.01    -0.03   0.01  -0.02
     7   6     0.00   0.01  -0.01     0.12  -0.01   0.01     0.01  -0.00   0.00
     8   6    -0.02  -0.13   0.07     0.03  -0.05  -0.09     0.00  -0.00  -0.01
     9   6    -0.03  -0.00  -0.04    -0.03  -0.02   0.01    -0.00  -0.01  -0.00
    10   6     0.03   0.02   0.03    -0.02   0.02  -0.02    -0.00   0.00   0.00
    11   6     0.01   0.01   0.01    -0.01   0.00   0.01     0.09  -0.04  -0.14
    12   6     0.00  -0.00  -0.00     0.01  -0.01  -0.01    -0.12   0.13   0.13
    13   8    -0.00   0.00   0.00    -0.00   0.00   0.00     0.01  -0.03  -0.01
    14   8    -0.00   0.00   0.00    -0.00   0.00   0.00     0.03  -0.01  -0.05
    15   1    -0.13  -0.07  -0.01     0.05   0.03   0.01    -0.11  -0.07  -0.00
    16   1    -0.17   0.08  -0.12     0.05  -0.01   0.02    -0.02   0.00   0.00
    17   1     0.20   0.12   0.02     0.05   0.01   0.01     0.01   0.01   0.03
    18   1     0.12  -0.05   0.08     0.04  -0.02   0.04     0.08  -0.05   0.06
    19   1    -0.27   0.07   0.08    -0.35   0.09   0.22    -0.03   0.01   0.01
    20   1     0.28  -0.08  -0.07    -0.33   0.20   0.16    -0.01   0.02   0.01
    21   1     0.07   0.58  -0.32    -0.34   0.32   0.52    -0.02   0.02   0.04
    22   1     0.07   0.19   0.06     0.07   0.09   0.06     0.00   0.02   0.01
    23   1    -0.08   0.03   0.05     0.00   0.08  -0.08    -0.01   0.03  -0.00
    24   1     0.13   0.12   0.09     0.04   0.16  -0.03     0.01   0.03  -0.01
    25   1     0.08  -0.04  -0.05    -0.02  -0.11   0.02     0.00  -0.00  -0.01
    26   1    -0.04   0.06  -0.20     0.06  -0.02   0.12     0.01  -0.00  -0.00
    27   1    -0.11   0.01  -0.16     0.01  -0.11   0.12    -0.00   0.00  -0.00
    28   1    -0.07  -0.04  -0.05     0.01  -0.01  -0.03    -0.40   0.25   0.60
    29   6    -0.00   0.01  -0.00     0.00  -0.00  -0.00    -0.01  -0.01   0.06
    30   1     0.00   0.01   0.00    -0.00   0.02   0.00     0.06  -0.43  -0.09
    31   1     0.00   0.00  -0.01    -0.01   0.01   0.01     0.12  -0.10  -0.16
    32   1    -0.00  -0.03  -0.01    -0.00  -0.00   0.01     0.08   0.08  -0.16
    33   1     0.01  -0.03   0.00     0.00   0.00  -0.00    -0.07  -0.00   0.00
                     61                     62                     63
                      A                      A                      A
 Frequencies --   1405.0844              1415.9062              1424.7616
 Red. masses --      1.2792                 1.2215                 1.2489
 Frc consts  --      1.4880                 1.4428                 1.4937
 IR Inten    --      8.5611                11.1142                 7.6617
 RamAct Fr= 1--      0.0341                 0.8496                 3.0728
  Dep-P Fr= 1--      0.5791                 0.6269                 0.5867
  Dep-U Fr= 1--      0.7335                 0.7707                 0.7395
 Alpha2 Fr= 1--      0.0001                 0.0019                 0.0094
 Beta2  Fr= 1--      0.0042                 0.1091                 0.3787
 AlphaG Fr= 1--      0.0003                 0.0050                 0.0004
 Gamma2 Fr= 1--      0.0091                 0.0976                -0.0335
 Delta2 Fr= 1--     -0.0215                 0.0761                -0.0017
 Raman1 Fr= 1--       0.136                  3.398                 12.291
 ROA1   Fr= 1--       0.190                 11.805                 -3.272
 CID1   Fr= 1--       1.390                  3.474                 -0.266
 Raman2 Fr= 1--       0.050                  1.310                  4.545
 ROA2   Fr= 1--       0.392                  1.733                 -0.791
 CID2   Fr= 1--       7.830                  1.323                 -0.174
 Raman3 Fr= 1--       0.100                  2.619                  9.090
 ROA3   Fr= 1--       0.190                 11.805                 -3.272
 CID3   Fr= 1--       1.896                  4.507                 -0.360
 RC180  Fr= 1--       0.467                  0.541                  0.479
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00   0.00     0.01   0.00   0.00     0.00   0.00   0.00
     2   6    -0.00  -0.00   0.00     0.00   0.01  -0.01     0.01  -0.00  -0.00
     3   6    -0.01   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     4   6     0.00   0.01  -0.00     0.01   0.00   0.00    -0.00  -0.00  -0.00
     5   6     0.01   0.00   0.00     0.01   0.00   0.00    -0.00   0.00  -0.00
     6   6    -0.00  -0.00   0.00    -0.01  -0.00  -0.00     0.00  -0.00   0.00
     7   6    -0.00  -0.01   0.00    -0.00  -0.00   0.00    -0.04   0.00  -0.00
     8   6     0.01   0.05  -0.03    -0.00  -0.00   0.00    -0.00   0.01   0.03
     9   6    -0.01  -0.10   0.00     0.00   0.00  -0.00    -0.01  -0.10  -0.02
    10   6    -0.01  -0.06   0.09     0.00   0.00  -0.00     0.01   0.04  -0.09
    11   6    -0.00  -0.00   0.00     0.01  -0.00  -0.01    -0.00   0.00   0.00
    12   6     0.00  -0.00  -0.00    -0.01   0.02   0.01     0.00  -0.00  -0.00
    13   8    -0.00   0.00   0.00    -0.00  -0.01   0.00    -0.00   0.00   0.00
    14   8    -0.00   0.00   0.00     0.01  -0.00  -0.01    -0.00   0.00   0.00
    15   1     0.02   0.01   0.00    -0.04  -0.02  -0.00    -0.01  -0.01  -0.00
    16   1     0.03  -0.02   0.02    -0.03   0.00  -0.03    -0.01   0.00  -0.01
    17   1    -0.04  -0.03  -0.00    -0.01  -0.01   0.00    -0.01  -0.00  -0.00
    18   1    -0.02   0.00  -0.01     0.02  -0.02   0.02    -0.01   0.00  -0.01
    19   1     0.06  -0.02  -0.03    -0.02   0.00  -0.00     0.13  -0.04  -0.01
    20   1    -0.07   0.03   0.03     0.02  -0.00  -0.00     0.13  -0.02  -0.03
    21   1    -0.02  -0.14   0.08     0.00   0.01  -0.00     0.08  -0.07  -0.11
    22   1     0.03   0.30   0.20    -0.00  -0.01  -0.01     0.03   0.32   0.20
    23   1    -0.07   0.40  -0.06     0.00  -0.01   0.00    -0.12   0.39   0.01
    24   1     0.15   0.35  -0.09    -0.00  -0.01   0.00     0.20   0.34  -0.02
    25   1     0.16   0.25  -0.30    -0.00  -0.01   0.00    -0.19  -0.17   0.31
    26   1     0.01   0.00  -0.38     0.00   0.00   0.01    -0.00  -0.01   0.37
    27   1    -0.08   0.29  -0.26    -0.00  -0.01   0.00     0.14  -0.23   0.28
    28   1     0.03   0.00  -0.00    -0.04   0.01   0.04     0.00  -0.00  -0.00
    29   6     0.00  -0.00  -0.00    -0.01  -0.10  -0.08    -0.00  -0.00  -0.00
    30   1    -0.00   0.01   0.00     0.01  -0.05  -0.01    -0.00   0.00   0.00
    31   1    -0.00   0.01   0.02     0.06   0.25   0.52     0.00   0.00   0.00
    32   1    -0.01   0.01   0.01    -0.16   0.42   0.29    -0.00   0.00   0.00
    33   1     0.00   0.02   0.00     0.19   0.52   0.19     0.00   0.00   0.00
                     64                     65                     66
                      A                      A                      A
 Frequencies --   1460.7849              1489.2183              1489.5912
 Red. masses --      2.4743                 1.0410                 1.0974
 Frc consts  --      3.1109                 1.3602                 1.4347
 IR Inten    --      9.2358                 2.7282                 3.3831
 RamAct Fr= 1--      0.2287                11.7359                15.4193
  Dep-P Fr= 1--      0.4927                 0.7499                 0.7315
  Dep-U Fr= 1--      0.6602                 0.8571                 0.8450
 Alpha2 Fr= 1--      0.0012                 0.0000                 0.0049
 Beta2  Fr= 1--      0.0252                 1.6765                 2.1714
 AlphaG Fr= 1--     -0.0277                -0.0010                 0.0066
 Gamma2 Fr= 1--     -0.4612                 0.0150                 0.3353
 Delta2 Fr= 1--      0.6592                 0.6043                -0.4598
 Raman1 Fr= 1--       0.915                 46.944                 61.677
 ROA1   Fr= 1--     -23.182                 20.776                 17.472
 CID1   Fr= 1--     -25.340                  0.443                  0.283
 Raman2 Fr= 1--       0.302                 20.118                 26.057
 ROA2   Fr= 1--     -16.343                 -4.475                 11.725
 CID2   Fr= 1--     -54.121                 -0.222                  0.450
 Raman3 Fr= 1--       0.604                 40.235                 52.115
 ROA3   Fr= 1--     -23.182                 20.776                 17.472
 CID3   Fr= 1--     -38.384                  0.516                  0.335
 RC180  Fr= 1--       0.320                  0.714                  0.690
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.12  -0.02   0.06     0.00  -0.00   0.00     0.00   0.00   0.00
     2   6     0.02   0.13  -0.07    -0.00   0.00  -0.00     0.01  -0.00  -0.00
     3   6    -0.13  -0.04  -0.03    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
     4   6     0.01   0.13  -0.07    -0.00  -0.00   0.00     0.00   0.00   0.00
     5   6     0.13  -0.01   0.06     0.00   0.00   0.00    -0.00   0.00  -0.00
     6   6    -0.13  -0.04  -0.03    -0.00  -0.00   0.00     0.00  -0.00   0.00
     7   6    -0.00  -0.03   0.02     0.00   0.00   0.00    -0.05  -0.03  -0.06
     8   6    -0.00  -0.01   0.01     0.00   0.01  -0.00     0.01   0.00   0.01
     9   6     0.00   0.01  -0.01    -0.04   0.00  -0.00     0.01   0.00   0.01
    10   6     0.00   0.01  -0.00     0.04  -0.00   0.00     0.01   0.01   0.01
    11   6    -0.04  -0.04   0.02    -0.00   0.00   0.00    -0.00  -0.00   0.00
    12   6     0.01  -0.01  -0.01     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    13   8    -0.00   0.00   0.00     0.00   0.00  -0.00     0.00   0.00   0.00
    14   8    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    15   1    -0.27  -0.26   0.04    -0.01  -0.00   0.00    -0.02  -0.01   0.00
    16   1     0.23  -0.23   0.23     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    17   1    -0.30  -0.28   0.03    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    18   1     0.21  -0.22   0.21     0.01  -0.01   0.00    -0.02   0.01  -0.01
    19   1    -0.21   0.03  -0.03    -0.01   0.01  -0.04     0.17  -0.16   0.59
    20   1     0.22  -0.01   0.01    -0.02  -0.03  -0.01     0.25   0.54   0.21
    21   1     0.00   0.02  -0.01    -0.01  -0.06   0.04     0.03  -0.02  -0.02
    22   1    -0.03  -0.03  -0.02     0.48  -0.11  -0.05    -0.07   0.07   0.04
    23   1    -0.03  -0.01   0.07     0.01   0.27  -0.17     0.08  -0.10  -0.08
    24   1     0.03   0.00   0.04     0.08  -0.23   0.30    -0.11   0.01  -0.15
    25   1     0.02  -0.07  -0.02     0.05   0.29  -0.12     0.09  -0.00  -0.14
    26   1     0.02  -0.00   0.04    -0.48   0.07   0.06    -0.14   0.02   0.09
    27   1    -0.04  -0.02  -0.03    -0.14  -0.35   0.03    -0.14  -0.16  -0.08
    28   1     0.34   0.08   0.06    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
    29   6     0.01   0.01   0.01    -0.00   0.00  -0.00     0.00  -0.00   0.00
    30   1    -0.01   0.04   0.01    -0.00  -0.00  -0.00     0.00   0.00   0.00
    31   1    -0.08  -0.03  -0.03     0.01   0.00  -0.00    -0.00   0.00   0.01
    32   1     0.01  -0.07   0.01    -0.00   0.00   0.00     0.00  -0.00  -0.01
    33   1    -0.03  -0.00  -0.02     0.00  -0.01   0.00    -0.01   0.01  -0.00
                     67                     68                     69
                      A                      A                      A
 Frequencies --   1492.2174              1497.4136              1498.9480
 Red. masses --      1.0466                 1.0567                 1.0549
 Frc consts  --      1.3731                 1.3960                 1.3964
 IR Inten    --      4.6715                 0.0938                 8.8653
 RamAct Fr= 1--      5.7468                 0.6336                 5.4223
  Dep-P Fr= 1--      0.6243                 0.7168                 0.6522
  Dep-U Fr= 1--      0.7687                 0.8350                 0.7895
 Alpha2 Fr= 1--      0.0132                 0.0004                 0.0095
 Beta2  Fr= 1--      0.7363                 0.0882                 0.7135
 AlphaG Fr= 1--      0.0015                 0.0084                 0.0769
 Gamma2 Fr= 1--     -1.3659                -0.3537                 1.2945
 Delta2 Fr= 1--     -1.6096                -0.2655                 1.6584
 Raman1 Fr= 1--      22.987                  2.534                 21.689
 ROA1   Fr= 1--    -182.631                -42.453                177.346
 CID1   Fr= 1--      -7.945                -16.750                  8.177
 Raman2 Fr= 1--       8.835                  1.058                  8.561
 ROA2   Fr= 1--     -19.905                 -6.366                 17.802
 CID2   Fr= 1--      -2.253                 -6.016                  2.079
 Raman3 Fr= 1--      17.670                  2.116                 17.123
 ROA3   Fr= 1--    -182.631                -42.453                177.346
 CID3   Fr= 1--     -10.335                -20.059                 10.357
 RC180  Fr= 1--       0.537                  0.670                  0.579
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.00    -0.01  -0.00  -0.00    -0.00  -0.00   0.00
     2   6    -0.01  -0.00  -0.00    -0.00  -0.01   0.00     0.00   0.01  -0.01
     3   6     0.01  -0.00   0.01     0.01   0.00   0.00    -0.00  -0.00   0.00
     4   6     0.00   0.00  -0.00    -0.00  -0.01   0.00     0.01   0.00  -0.00
     5   6     0.01   0.01   0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
     6   6    -0.00  -0.00   0.00     0.01  -0.00   0.00    -0.00  -0.00   0.00
     7   6     0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     8   6     0.00  -0.00  -0.00     0.00   0.03  -0.02    -0.00  -0.00   0.00
     9   6     0.00  -0.00   0.00     0.01  -0.00  -0.04    -0.00   0.00   0.00
    10   6    -0.00   0.00   0.00    -0.00   0.03   0.02     0.00  -0.00  -0.00
    11   6    -0.02   0.01  -0.01    -0.00   0.00   0.00    -0.03  -0.01   0.02
    12   6     0.00  -0.00   0.00     0.00  -0.00  -0.00     0.01  -0.01  -0.01
    13   8     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.01  -0.00
    14   8     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    15   1    -0.02  -0.01  -0.00     0.02   0.01  -0.00    -0.01  -0.01   0.00
    16   1    -0.01   0.00  -0.01    -0.00   0.01  -0.01    -0.00  -0.01  -0.01
    17   1    -0.03  -0.02  -0.00     0.01   0.01  -0.00    -0.01  -0.01  -0.00
    18   1    -0.02   0.00  -0.01    -0.02   0.01  -0.01    -0.00  -0.01   0.00
    19   1     0.00  -0.00   0.01     0.05  -0.01  -0.02    -0.01   0.00   0.00
    20   1     0.00   0.01   0.00    -0.05   0.01   0.01     0.01  -0.00  -0.00
    21   1    -0.00   0.00   0.00    -0.01  -0.07   0.04     0.00   0.01  -0.00
    22   1    -0.01   0.00   0.00    -0.13  -0.21  -0.13     0.01   0.02   0.01
    23   1     0.00  -0.01   0.00    -0.24   0.08   0.41     0.03  -0.01  -0.04
    24   1    -0.00   0.01  -0.01     0.28   0.09   0.28    -0.03  -0.01  -0.03
    25   1     0.00  -0.00  -0.00     0.21  -0.34  -0.27    -0.02   0.03   0.03
    26   1    -0.00   0.00   0.00     0.10  -0.03   0.26    -0.01   0.00  -0.03
    27   1    -0.00  -0.00  -0.00    -0.29  -0.14  -0.26     0.03   0.02   0.03
    28   1     0.04   0.05   0.03    -0.01  -0.01  -0.01     0.06  -0.04  -0.06
    29   6    -0.04   0.02  -0.03    -0.00  -0.00   0.00    -0.03  -0.03   0.03
    30   1    -0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.02   0.00
    31   1     0.36  -0.09  -0.36     0.06   0.02   0.01     0.59   0.17   0.12
    32   1    -0.20   0.16   0.41     0.01   0.05  -0.04     0.13   0.51  -0.39
    33   1     0.47  -0.38   0.35    -0.02  -0.03  -0.02    -0.21  -0.28  -0.18
                     70                     71                     72
                      A                      A                      A
 Frequencies --   1508.6307              1512.3877              1551.9464
 Red. masses --      1.0508                 1.0555                 2.4288
 Frc consts  --      1.4091                 1.4224                 3.4467
 IR Inten    --     11.7303                10.5501                22.5853
 RamAct Fr= 1--      1.9097                 4.0574                 0.8148
  Dep-P Fr= 1--      0.4043                 0.6866                 0.7189
  Dep-U Fr= 1--      0.5758                 0.8142                 0.8364
 Alpha2 Fr= 1--      0.0139                 0.0045                 0.0004
 Beta2  Fr= 1--      0.1833                 0.5506                 0.1136
 AlphaG Fr= 1--     -0.0098                -0.0031                 0.0027
 Gamma2 Fr= 1--     -0.0115                -0.0690                -0.3683
 Delta2 Fr= 1--     -0.0858                 0.0072                -0.1021
 Raman1 Fr= 1--       7.639                 16.229                  3.259
 ROA1   Fr= 1--      -3.846                 -6.395                -38.623
 CID1   Fr= 1--      -0.504                 -0.394                -11.850
 Raman2 Fr= 1--       2.199                  6.607                  1.363
 ROA2   Fr= 1--       0.410                 -1.714                 -8.022
 CID2   Fr= 1--       0.187                 -0.259                 -5.885
 Raman3 Fr= 1--       4.398                 13.214                  2.726
 ROA3   Fr= 1--      -3.846                 -6.395                -38.623
 CID3   Fr= 1--      -0.875                 -0.484                -14.167
 RC180  Fr= 1--       0.152                  0.628                  0.673
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.10  -0.10   0.02
     2   6     0.01  -0.00  -0.00     0.00  -0.00  -0.00     0.15   0.01   0.05
     3   6    -0.00   0.00  -0.00     0.00   0.00  -0.00    -0.08   0.08  -0.08
     4   6     0.00   0.00   0.00     0.00   0.00   0.00     0.15   0.01   0.05
     5   6    -0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.10  -0.10   0.01
     6   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.08   0.08  -0.08
     7   6    -0.01  -0.01  -0.03    -0.01  -0.00  -0.00    -0.03  -0.00  -0.01
     8   6    -0.02  -0.00  -0.01     0.03  -0.02  -0.03    -0.00   0.00   0.01
     9   6    -0.02   0.01  -0.02     0.02   0.01  -0.02     0.00  -0.00   0.00
    10   6    -0.03  -0.02  -0.00     0.02  -0.03  -0.00     0.00   0.00  -0.00
    11   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.03  -0.00  -0.01
    12   6    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.01   0.01
    13   8     0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
    14   8     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    15   1    -0.00   0.00   0.00     0.02   0.00  -0.01     0.42   0.18   0.06
    16   1     0.01  -0.00   0.01     0.01  -0.00   0.00     0.40  -0.14   0.25
    17   1     0.01   0.00   0.00     0.01   0.00   0.00     0.40   0.18   0.06
    18   1    -0.00   0.00   0.00     0.01  -0.01  -0.00     0.37  -0.13   0.21
    19   1     0.04  -0.06   0.26     0.01  -0.01   0.08    -0.03   0.00  -0.03
    20   1     0.08   0.24   0.10     0.02   0.07   0.03    -0.03  -0.02  -0.02
    21   1    -0.01  -0.03  -0.05    -0.03   0.04   0.06     0.02  -0.02  -0.04
    22   1     0.32  -0.21  -0.12    -0.36  -0.14  -0.10    -0.01   0.02   0.01
    23   1    -0.10   0.24   0.06    -0.20  -0.11   0.43     0.01  -0.01  -0.02
    24   1     0.18  -0.17   0.38     0.19   0.21   0.08    -0.02  -0.00  -0.02
    25   1    -0.13  -0.06   0.22    -0.13   0.45   0.13     0.01  -0.01  -0.01
    26   1     0.33  -0.05  -0.20    -0.34   0.06  -0.21    -0.01   0.00   0.02
    27   1     0.24   0.36   0.09     0.16  -0.07   0.24    -0.02  -0.01  -0.02
    28   1    -0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.04  -0.00  -0.00
    29   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
    30   1     0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00  -0.01  -0.00
    31   1     0.00  -0.00  -0.00     0.00   0.00   0.00     0.04  -0.00  -0.02
    32   1    -0.00   0.00   0.01     0.00   0.00  -0.00    -0.02   0.04   0.04
    33   1     0.01  -0.00   0.00    -0.00   0.00  -0.00     0.05  -0.03   0.03
                     73                     74                     75
                      A                      A                      A
 Frequencies --   1617.4647              1658.2126              1805.7505
 Red. masses --      5.9912                 5.7772                 9.5433
 Frc consts  --      9.2349                 9.3594                18.3343
 IR Inten    --      0.1330                 1.1490               270.6210
 RamAct Fr= 1--      2.1259               106.2751                14.1573
  Dep-P Fr= 1--      0.7197                 0.4813                 0.1597
  Dep-U Fr= 1--      0.8370                 0.6498                 0.2754
 Alpha2 Fr= 1--      0.0011                 0.5712                 0.2135
 Beta2  Fr= 1--      0.2966                11.5099                 0.6498
 AlphaG Fr= 1--      0.0195                 0.0739                -0.3578
 Gamma2 Fr= 1--      0.3633                 3.2312                -0.9389
 Delta2 Fr= 1--      0.0417                 0.4559                 0.7991
 Raman1 Fr= 1--       8.504                425.100                 56.629
 ROA1   Fr= 1--      36.215                324.785                -64.563
 CID1   Fr= 1--       4.259                  0.764                 -1.140
 Raman2 Fr= 1--       3.559                138.119                  7.797
 ROA2   Fr= 1--       8.387                 73.902                -28.926
 CID2   Fr= 1--       2.357                  0.535                 -3.710
 Raman3 Fr= 1--       7.118                276.238                 15.594
 ROA3   Fr= 1--      36.215                324.785                -64.563
 CID3   Fr= 1--       5.088                  1.176                 -4.140
 RC180  Fr= 1--       0.674                  0.300                 -0.449
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.11   0.18  -0.07     0.28   0.09   0.06    -0.01  -0.01   0.00
     2   6    -0.03  -0.30   0.16    -0.20  -0.01  -0.07     0.00   0.00  -0.00
     3   6     0.07  -0.17   0.13    -0.26   0.05  -0.13     0.01   0.00   0.00
     4   6     0.04   0.31  -0.16     0.18   0.02   0.06    -0.02  -0.01  -0.01
     5   6    -0.11  -0.19   0.07    -0.27  -0.09  -0.06     0.01   0.01   0.00
     6   6    -0.08   0.18  -0.13     0.26  -0.05   0.13    -0.01  -0.00  -0.00
     7   6     0.00   0.03  -0.02     0.03   0.00   0.01    -0.00  -0.00  -0.00
     8   6     0.00   0.01  -0.00     0.01  -0.00  -0.01    -0.00   0.00   0.00
     9   6    -0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    10   6     0.00  -0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    11   6    -0.02  -0.04   0.02    -0.02  -0.00  -0.01    -0.02  -0.04   0.04
    12   6     0.00   0.00  -0.01    -0.00   0.02   0.00     0.27   0.57  -0.32
    13   8    -0.00  -0.00   0.00    -0.00  -0.01   0.00    -0.15  -0.38   0.18
    14   8    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.02  -0.05   0.02
    15   1    -0.28  -0.03  -0.09    -0.29  -0.24   0.03     0.01   0.01   0.00
    16   1    -0.28  -0.02  -0.11     0.25  -0.21   0.23     0.03  -0.01  -0.01
    17   1     0.29   0.03   0.10     0.27   0.22  -0.02    -0.02  -0.01   0.00
    18   1     0.30   0.01   0.11    -0.24   0.20  -0.20     0.00  -0.01   0.01
    19   1     0.20  -0.03   0.04     0.02   0.01  -0.01    -0.00  -0.00   0.00
    20   1    -0.21  -0.01  -0.01     0.02  -0.01   0.00     0.00   0.00   0.00
    21   1    -0.00  -0.01   0.01    -0.01   0.02   0.03     0.00  -0.00  -0.00
    22   1     0.01  -0.01  -0.01    -0.00  -0.01  -0.00     0.00   0.00   0.00
    23   1    -0.01   0.01   0.01    -0.01   0.00   0.01    -0.00   0.00   0.00
    24   1     0.01  -0.00   0.01     0.01   0.01   0.01     0.00  -0.00   0.00
    25   1     0.01  -0.01  -0.01    -0.01   0.01   0.00    -0.00   0.00   0.00
    26   1    -0.01   0.00   0.01    -0.00   0.00  -0.01    -0.00   0.00   0.00
    27   1    -0.01  -0.01  -0.01     0.01  -0.00   0.01     0.00   0.00   0.00
    28   1     0.27   0.06   0.06    -0.02   0.00   0.01    -0.18   0.00   0.15
    29   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.01   0.00
    30   1    -0.00   0.02   0.00     0.00   0.01   0.00    -0.05   0.46   0.08
    31   1     0.01   0.01   0.02     0.02   0.00   0.00     0.04   0.00  -0.05
    32   1     0.01   0.01  -0.02    -0.01   0.02   0.02     0.03   0.01  -0.03
    33   1    -0.02  -0.00  -0.01     0.02   0.00   0.01    -0.02  -0.11  -0.04
                     76                     77                     78
                      A                      A                      A
 Frequencies --   3002.8966              3025.8887              3027.4261
 Red. masses --      1.0816                 1.0345                 1.0482
 Frc consts  --      5.7464                 5.5808                 5.6602
 IR Inten    --     21.4644                34.6048                41.8840
 RamAct Fr= 1--    138.9472                13.6390                56.6735
  Dep-P Fr= 1--      0.4599                 0.6750                 0.5209
  Dep-U Fr= 1--      0.6301                 0.8060                 0.6850
 Alpha2 Fr= 1--      0.8180                 0.0181                 0.2529
 Beta2  Fr= 1--     14.5912                 1.8321                 6.4703
 AlphaG Fr= 1--     -0.0034                -0.0063                 0.1015
 Gamma2 Fr= 1--     -0.6215                 1.0674                -2.5989
 Delta2 Fr= 1--      0.9933                -0.8505                 0.5537
 Raman1 Fr= 1--     555.789                 54.556                226.694
 ROA1   Fr= 1--     -27.876                 75.251               -231.778
 CID1   Fr= 1--      -0.050                  1.379                 -1.022
 Raman2 Fr= 1--     175.094                 21.985                 77.643
 ROA2   Fr= 1--     -22.862                 32.421                -66.803
 CID2   Fr= 1--      -0.131                  1.475                 -0.860
 Raman3 Fr= 1--     350.188                 43.970                155.286
 ROA3   Fr= 1--     -27.876                 75.251               -231.778
 CID3   Fr= 1--      -0.080                  1.711                 -1.493
 RC180  Fr= 1--       0.260                  0.612                  0.370
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     2   6     0.00   0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
     3   6     0.00   0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
     4   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
     5   6     0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
     6   6    -0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00   0.00   0.00
     7   6     0.00   0.01   0.02     0.00   0.00   0.00    -0.01  -0.02  -0.04
     8   6    -0.07  -0.01  -0.04     0.00   0.00   0.00    -0.01  -0.00  -0.01
     9   6     0.01  -0.00   0.00    -0.00  -0.03  -0.00    -0.00  -0.03   0.00
    10   6     0.01   0.00   0.00    -0.00  -0.02   0.03     0.00   0.01  -0.02
    11   6    -0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    12   6     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
    13   8    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    14   8    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    15   1     0.00  -0.00   0.00     0.00  -0.01   0.00    -0.00   0.00  -0.00
    16   1     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
    17   1     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
    18   1     0.00   0.00  -0.00    -0.00  -0.01   0.00    -0.00  -0.00   0.00
    19   1    -0.05  -0.18  -0.02    -0.01  -0.04  -0.01     0.12   0.47   0.05
    20   1    -0.01   0.09  -0.16    -0.00   0.01  -0.02     0.04  -0.23   0.43
    21   1     0.84   0.13   0.43    -0.01  -0.00  -0.00     0.14   0.02   0.07
    22   1     0.00   0.02  -0.05     0.00   0.18  -0.36     0.00   0.17  -0.33
    23   1    -0.07  -0.01  -0.04     0.31   0.06   0.16     0.24   0.05   0.13
    24   1    -0.04   0.02   0.03    -0.27   0.14   0.20    -0.23   0.12   0.17
    25   1    -0.07  -0.01  -0.04    -0.35  -0.06  -0.19     0.17   0.03   0.10
    26   1    -0.00  -0.05  -0.01     0.08   0.47   0.06    -0.05  -0.29  -0.04
    27   1    -0.04   0.02   0.03     0.32  -0.17  -0.23    -0.18   0.10   0.13
    28   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    29   6    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
    30   1    -0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
    31   1    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    32   1     0.00   0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    33   1    -0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
                     79                     80                     81
                      A                      A                      A
 Frequencies --   3032.9051              3047.1764              3063.7496
 Red. masses --      1.0481                 1.0355                 1.1040
 Frc consts  --      5.6801                 5.6651                 6.1053
 IR Inten    --     18.5549                23.3992                17.9578
 RamAct Fr= 1--    527.1952               208.2107                53.8084
  Dep-P Fr= 1--      0.0102                 0.0605                 0.7498
  Dep-U Fr= 1--      0.0202                 0.1142                 0.8570
 Alpha2 Fr= 1--     11.4397                 4.0107                 0.0002
 Beta2  Fr= 1--      1.7724                 3.9615                 7.6857
 AlphaG Fr= 1--     -0.2453                -0.2850                 0.0138
 Gamma2 Fr= 1--     -0.3890                -0.2190                -0.8725
 Delta2 Fr= 1--      0.4084                 3.4040                -1.3341
 Raman1 Fr= 1--    2108.781                832.843                215.234
 ROA1   Fr= 1--     -24.272                 87.906               -126.454
 CID1   Fr= 1--      -0.012                  0.106                 -0.588
 Raman2 Fr= 1--      21.268                 47.538                 92.229
 ROA2   Fr= 1--     -12.602                -32.487                -10.267
 CID2   Fr= 1--      -0.593                 -0.683                 -0.111
 Raman3 Fr= 1--      42.537                 95.075                184.458
 ROA3   Fr= 1--     -24.272                 87.906               -126.454
 CID3   Fr= 1--      -0.571                  0.925                 -0.686
 RC180  Fr= 1--      -0.960                 -0.772                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     2   6     0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
     3   6    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
     4   6     0.00   0.00   0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
     5   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
     6   6     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
     7   6    -0.01  -0.02  -0.04     0.00   0.00   0.00    -0.01  -0.08   0.04
     8   6    -0.01  -0.00  -0.01     0.00   0.00   0.00    -0.00  -0.00   0.00
     9   6     0.01   0.03   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.01
    10   6     0.00  -0.01   0.02    -0.00   0.00  -0.00     0.00   0.01   0.00
    11   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
    12   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    13   8    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    14   8    -0.00   0.00   0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
    15   1    -0.01   0.01  -0.01     0.00  -0.00   0.00     0.01  -0.01   0.01
    16   1    -0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    17   1    -0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    18   1    -0.01  -0.01   0.00     0.00   0.00  -0.00    -0.01  -0.01   0.00
    19   1     0.11   0.45   0.05    -0.00  -0.00  -0.00     0.17   0.67   0.10
    20   1     0.03  -0.22   0.41    -0.00   0.00  -0.00    -0.05   0.31  -0.63
    21   1     0.16   0.02   0.08    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    22   1    -0.00  -0.14   0.28     0.00   0.00  -0.00    -0.00  -0.02   0.04
    23   1    -0.27  -0.05  -0.14     0.00   0.00   0.00     0.03   0.01   0.01
    24   1     0.21  -0.11  -0.15    -0.00   0.00   0.00    -0.03   0.02   0.02
    25   1    -0.26  -0.04  -0.14     0.00   0.00   0.00    -0.03  -0.00  -0.02
    26   1     0.05   0.29   0.03    -0.00  -0.00  -0.00    -0.01  -0.05  -0.01
    27   1     0.20  -0.10  -0.14    -0.00  -0.00  -0.00     0.03  -0.01  -0.02
    28   1     0.00  -0.00   0.00    -0.01   0.03  -0.02    -0.00  -0.00   0.00
    29   6    -0.00  -0.00  -0.00    -0.01  -0.03  -0.04    -0.00   0.00  -0.00
    30   1    -0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    31   1    -0.00   0.00  -0.00    -0.09   0.39  -0.22     0.00  -0.00  -0.00
    32   1     0.01   0.00   0.00     0.63   0.01   0.24     0.00   0.00   0.00
    33   1    -0.00  -0.00   0.00    -0.38  -0.07   0.43    -0.00  -0.00   0.00
                     82                     83                     84
                      A                      A                      A
 Frequencies --   3070.7138              3085.7857              3088.3421
 Red. masses --      1.0840                 1.1020                 1.1008
 Frc consts  --      6.0223                 6.1825                 6.1862
 IR Inten    --      6.9601                15.1808                50.7954
 RamAct Fr= 1--     67.7465                39.1964               136.4858
  Dep-P Fr= 1--      0.2063                 0.7492                 0.6945
  Dep-U Fr= 1--      0.3420                 0.8566                 0.8197
 Alpha2 Fr= 1--      0.9048                 0.0005                 0.1324
 Beta2  Fr= 1--      3.8613                 5.5962                18.6469
 AlphaG Fr= 1--     -0.4200                -0.0484                 0.1113
 Gamma2 Fr= 1--     -3.9127                 0.3836                 4.1640
 Delta2 Fr= 1--     -1.7817                -1.0920                 4.5791
 Raman1 Fr= 1--     270.986                156.785                545.943
 ROA1   Fr= 1--    -432.634                  1.880                546.280
 CID1   Fr= 1--      -1.597                  0.012                  1.001
 Raman2 Fr= 1--      46.335                 67.154                223.762
 ROA2   Fr= 1--     -79.651                 17.942                 63.304
 CID2   Fr= 1--      -1.719                  0.267                  0.283
 Raman3 Fr= 1--      92.671                134.309                447.525
 ROA3   Fr= 1--    -432.634                  1.880                546.280
 CID3   Fr= 1--      -4.669                  0.014                  1.221
 RC180  Fr= 1--      -0.316                  0.713                  0.639
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     2   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
     3   6    -0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
     4   6    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00   0.00
     5   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
     6   6     0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
     7   6    -0.00  -0.00  -0.00    -0.00  -0.01   0.00    -0.00  -0.00  -0.00
     8   6    -0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
     9   6     0.00  -0.00  -0.00    -0.03  -0.00   0.05     0.02   0.00  -0.06
    10   6     0.00   0.00   0.00     0.02  -0.06  -0.03     0.01  -0.05  -0.03
    11   6     0.02  -0.07   0.04     0.00  -0.00   0.00    -0.00   0.00  -0.00
    12   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    13   8     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    14   8    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
    15   1    -0.00   0.00  -0.00     0.01  -0.01   0.01    -0.00   0.01  -0.01
    16   1     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    17   1     0.01  -0.02   0.02    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    18   1     0.00   0.00  -0.00    -0.01  -0.01   0.00    -0.00  -0.01   0.00
    19   1     0.00   0.00   0.00     0.01   0.06   0.01     0.00   0.01   0.00
    20   1     0.00  -0.00   0.00    -0.00   0.03  -0.06     0.00  -0.01   0.02
    21   1     0.00   0.00   0.00     0.00   0.00   0.00     0.02   0.00   0.01
    22   1     0.00  -0.00   0.00    -0.00   0.21  -0.40     0.00  -0.25   0.47
    23   1    -0.00  -0.00  -0.00    -0.03  -0.01  -0.00     0.10   0.02   0.03
    24   1    -0.00   0.00   0.00     0.35  -0.18  -0.25    -0.39   0.21   0.28
    25   1    -0.00  -0.00  -0.00     0.06  -0.01   0.02     0.13   0.01   0.07
    26   1     0.00  -0.00   0.00     0.09   0.51   0.05     0.08   0.47   0.05
    27   1     0.00  -0.00  -0.00    -0.40   0.20   0.29    -0.32   0.15   0.23
    28   1    -0.21   0.84  -0.46    -0.00   0.00  -0.00     0.00  -0.00   0.00
    29   6    -0.00   0.01  -0.01    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
    30   1    -0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
    31   1     0.03  -0.14   0.08     0.00  -0.00   0.00    -0.00   0.00  -0.00
    32   1     0.04   0.00   0.01     0.00   0.00   0.00     0.00   0.00   0.00
    33   1    -0.01  -0.00   0.01    -0.00  -0.00   0.00    -0.00  -0.00   0.00
                     85                     86                     87
                      A                      A                      A
 Frequencies --   3091.4875              3096.7217              3110.8035
 Red. masses --      1.1017                 1.1008                 1.1023
 Frc consts  --      6.2036                 6.2195                 6.2850
 IR Inten    --      7.4386                77.7085                27.5036
 RamAct Fr= 1--     12.7028                64.8400               102.2016
  Dep-P Fr= 1--      0.7426                 0.4936                 0.6774
  Dep-U Fr= 1--      0.8523                 0.6609                 0.8077
 Alpha2 Fr= 1--      0.0016                 0.3298                 0.1311
 Beta2  Fr= 1--      1.8044                 7.1424                13.7577
 AlphaG Fr= 1--      0.0447                 0.0123                 0.0712
 Gamma2 Fr= 1--     -4.1515                 1.6718                -1.9281
 Delta2 Fr= 1--     -0.7919                -1.4852                -4.1795
 Raman1 Fr= 1--      50.811                259.360                408.806
 ROA1   Fr= 1--    -423.881                112.972               -318.848
 CID1   Fr= 1--      -8.342                  0.436                 -0.780
 Raman2 Fr= 1--      21.653                 85.709                165.092
 ROA2   Fr= 1--     -93.300                 52.006                -12.839
 CID2   Fr= 1--      -4.309                  0.607                 -0.078
 Raman3 Fr= 1--      43.306                171.418                330.185
 ROA3   Fr= 1--    -423.881                112.972               -318.848
 CID3   Fr= 1--      -9.788                  0.659                 -0.966
 RC180  Fr= 1--       0.705                  0.322                  0.615
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     2   6    -0.00  -0.00   0.00     0.00   0.00   0.00     0.00  -0.00   0.00
     3   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     4   6    -0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
     5   6     0.00   0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     6   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
     7   6    -0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
     8   6    -0.00  -0.00  -0.00    -0.01  -0.00  -0.01     0.00   0.00   0.00
     9   6     0.06  -0.01   0.03    -0.06   0.01  -0.02     0.00  -0.00   0.00
    10   6    -0.06  -0.01  -0.01    -0.06  -0.01  -0.01     0.00   0.00   0.00
    11   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    12   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    13   8    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    14   8    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
    15   1    -0.00   0.01  -0.00     0.00  -0.01   0.00     0.00  -0.00   0.00
    16   1    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    17   1     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    18   1     0.00   0.01  -0.00     0.00   0.01  -0.00    -0.00  -0.00   0.00
    19   1     0.01   0.03   0.00     0.00   0.02   0.00    -0.00  -0.00  -0.00
    20   1    -0.00   0.01  -0.03     0.00  -0.01   0.02    -0.00   0.00  -0.00
    21   1     0.01  -0.00   0.00     0.15   0.02   0.07    -0.00  -0.00  -0.00
    22   1     0.02   0.12  -0.23    -0.01  -0.09   0.17     0.00   0.00  -0.00
    23   1    -0.50  -0.11  -0.26     0.52   0.12   0.28    -0.00  -0.00  -0.00
    24   1    -0.18   0.10   0.15     0.26  -0.14  -0.21    -0.00   0.00   0.00
    25   1     0.52   0.08   0.30     0.47   0.07   0.27    -0.00  -0.00  -0.00
    26   1     0.02   0.23   0.02     0.02   0.17   0.02    -0.00  -0.00  -0.00
    27   1     0.23  -0.13  -0.19     0.24  -0.14  -0.20    -0.00   0.00   0.00
    28   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.01  -0.04   0.02
    29   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.09   0.01   0.01
    30   1     0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    31   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.01  -0.17   0.09
    32   1     0.00  -0.00   0.00     0.00   0.00   0.00     0.65   0.02   0.26
    33   1     0.00   0.00  -0.00     0.00   0.00  -0.00     0.43   0.08  -0.52
                     88                     89                     90
                      A                      A                      A
 Frequencies --   3129.7281              3161.7791              3167.2220
 Red. masses --      1.1014                 1.0867                 1.0872
 Frc consts  --      6.3561                 6.4009                 6.4254
 IR Inten    --     12.5854                11.0243                 8.4974
 RamAct Fr= 1--     27.0176                49.5035                53.3709
  Dep-P Fr= 1--      0.6651                 0.7274                 0.6426
  Dep-U Fr= 1--      0.7989                 0.8422                 0.7824
 Alpha2 Fr= 1--      0.0408                 0.0192                 0.1034
 Beta2  Fr= 1--      3.5973                 6.9485                 6.9595
 AlphaG Fr= 1--     -0.0187                 0.0017                 0.2047
 Gamma2 Fr= 1--      0.6074                -5.1534                 4.2185
 Delta2 Fr= 1--      2.1637                 1.1242                 1.7721
 Raman1 Fr= 1--     108.071                198.014                213.484
 ROA1   Fr= 1--     127.544               -458.754                461.684
 CID1   Fr= 1--       1.180                 -2.317                  2.163
 Raman2 Fr= 1--      43.167                 83.382                 83.513
 ROA2   Fr= 1--      -2.733               -132.676                 87.068
 CID2   Fr= 1--      -0.063                 -1.591                  1.043
 Raman3 Fr= 1--      86.334                166.765                167.027
 ROA3   Fr= 1--     127.544               -458.754                461.684
 CID3   Fr= 1--       1.477                 -2.751                  2.764
 RC180  Fr= 1--       0.598                  0.684                  0.565
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.03  -0.05   0.04
     2   6     0.00   0.00  -0.00     0.00  -0.00   0.00     0.00   0.00   0.00
     3   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.02   0.03  -0.01
     4   6     0.00  -0.00  -0.00     0.00   0.00   0.00     0.00  -0.00   0.00
     5   6    -0.00   0.00  -0.00     0.02  -0.05   0.04    -0.00   0.00  -0.00
     6   6    -0.00  -0.00   0.00     0.03   0.04  -0.01    -0.00  -0.01   0.00
     7   6    -0.00  -0.00   0.00     0.00   0.00   0.00     0.00  -0.00   0.00
     8   6    -0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
     9   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
    10   6    -0.00  -0.00   0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
    11   6     0.00  -0.01   0.01     0.00  -0.00   0.00    -0.00   0.00  -0.00
    12   6    -0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
    13   8     0.00   0.00   0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
    14   8     0.00   0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    15   1    -0.00   0.01  -0.01    -0.02   0.04  -0.03    -0.31   0.61  -0.49
    16   1    -0.02  -0.03   0.01    -0.02  -0.03   0.01    -0.28  -0.41   0.13
    17   1     0.01  -0.01   0.01    -0.29   0.56  -0.43     0.01  -0.01   0.01
    18   1     0.00   0.00  -0.00    -0.35  -0.51   0.15     0.04   0.06  -0.02
    19   1     0.00   0.00   0.00    -0.00  -0.01  -0.00     0.00   0.00  -0.00
    20   1    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.01  -0.02
    21   1     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    22   1    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.01  -0.01
    23   1     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.01   0.00   0.01
    24   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.01  -0.00  -0.00
    25   1     0.00   0.00   0.00     0.01   0.00   0.00    -0.00  -0.00  -0.00
    26   1     0.00   0.00   0.00    -0.00  -0.01  -0.00     0.00   0.00   0.00
    27   1     0.00  -0.00  -0.00     0.01  -0.00  -0.00    -0.00   0.00   0.00
    28   1    -0.03   0.14  -0.07    -0.01   0.02  -0.01     0.00  -0.00   0.00
    29   6     0.00  -0.06   0.07     0.00  -0.00   0.00    -0.00   0.00  -0.00
    30   1    -0.00  -0.00   0.00     0.00   0.00   0.00     0.00   0.00  -0.00
    31   1    -0.16   0.74  -0.39    -0.00   0.01  -0.00     0.00  -0.02   0.01
    32   1    -0.18  -0.02  -0.06    -0.00  -0.00  -0.00     0.01   0.00   0.00
    33   1     0.30   0.04  -0.33     0.00  -0.00  -0.00    -0.01  -0.00   0.01
                     91                     92                     93
                      A                      A                      A
 Frequencies --   3178.7930              3185.4181              3723.5538
 Red. masses --      1.0936                 1.0937                 1.0639
 Frc consts  --      6.5107                 6.5387                 8.6912
 IR Inten    --     18.0639                 3.2051                65.9155
 RamAct Fr= 1--     98.9984               143.6662               116.5155
  Dep-P Fr= 1--      0.1375                 0.1206                 0.2427
  Dep-U Fr= 1--      0.2418                 0.2153                 0.3906
 Alpha2 Fr= 1--      1.5794                 2.3907                 1.4093
 Beta2  Fr= 1--      3.9896                 5.1550                 7.5855
 AlphaG Fr= 1--     -1.1316                 0.2827                -0.2865
 Gamma2 Fr= 1--     -7.4416                 5.6686                -5.1225
 Delta2 Fr= 1--     -2.1757                 0.7260                 0.1395
 Raman1 Fr= 1--     395.993                574.665                466.062
 ROA1   Fr= 1--    -784.017                567.421               -487.294
 CID1   Fr= 1--      -1.980                  0.987                 -1.046
 Raman2 Fr= 1--      47.875                 61.860                 91.026
 ROA2   Fr= 1--    -161.193                130.240               -124.055
 CID2   Fr= 1--      -3.367                  2.105                 -1.363
 Raman3 Fr= 1--      95.750                123.721                182.052
 ROA3   Fr= 1--    -784.017                567.421               -487.294
 CID3   Fr= 1--      -8.188                  4.586                 -2.677
 RC180  Fr= 1--      -0.516                 -0.569                 -0.219
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00   0.00     0.02  -0.03   0.03     0.00  -0.00   0.00
     2   6    -0.00   0.00  -0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
     3   6    -0.01  -0.01   0.00    -0.04  -0.06   0.02    -0.00   0.00   0.00
     4   6     0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
     5   6     0.02  -0.04   0.03    -0.00   0.01  -0.01     0.00   0.00   0.00
     6   6    -0.04  -0.05   0.01     0.01   0.01  -0.00     0.00   0.00  -0.00
     7   6    -0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00   0.00   0.00
     8   6     0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
     9   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
    10   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
    11   6     0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
    12   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
    13   8    -0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
    14   8    -0.00   0.00   0.00     0.00   0.00  -0.00     0.04   0.01  -0.05
    15   1    -0.02   0.04  -0.03    -0.19   0.37  -0.30    -0.00   0.00  -0.00
    16   1     0.10   0.14  -0.04     0.46   0.66  -0.21     0.00  -0.00   0.00
    17   1    -0.24   0.46  -0.35     0.04  -0.08   0.06     0.00  -0.00   0.00
    18   1     0.41   0.60  -0.18    -0.08  -0.11   0.03    -0.00  -0.00   0.00
    19   1     0.01   0.01   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    20   1     0.00   0.00   0.00    -0.00   0.00  -0.01    -0.00   0.00  -0.00
    21   1    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
    22   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
    23   1     0.00   0.00   0.00     0.01   0.00   0.00    -0.00  -0.00  -0.00
    24   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    25   1    -0.01  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    26   1     0.00   0.01   0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
    27   1    -0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
    28   1    -0.00   0.01  -0.01     0.00  -0.00   0.00    -0.00   0.00   0.00
    29   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00   0.00   0.00
    30   1    -0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.58  -0.14   0.80
    31   1    -0.00   0.01  -0.00    -0.00   0.02  -0.01     0.00  -0.00  -0.00
    32   1    -0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    33   1     0.00   0.00  -0.00     0.00   0.00  -0.01    -0.00  -0.00   0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  6 and mass  12.00000
 Atom     8 has atomic number  6 and mass  12.00000
 Atom     9 has atomic number  6 and mass  12.00000
 Atom    10 has atomic number  6 and mass  12.00000
 Atom    11 has atomic number  6 and mass  12.00000
 Atom    12 has atomic number  6 and mass  12.00000
 Atom    13 has atomic number  8 and mass  15.99491
 Atom    14 has atomic number  8 and mass  15.99491
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Atom    20 has atomic number  1 and mass   1.00783
 Atom    21 has atomic number  1 and mass   1.00783
 Atom    22 has atomic number  1 and mass   1.00783
 Atom    23 has atomic number  1 and mass   1.00783
 Atom    24 has atomic number  1 and mass   1.00783
 Atom    25 has atomic number  1 and mass   1.00783
 Atom    26 has atomic number  1 and mass   1.00783
 Atom    27 has atomic number  1 and mass   1.00783
 Atom    28 has atomic number  1 and mass   1.00783
 Atom    29 has atomic number  6 and mass  12.00000
 Atom    30 has atomic number  1 and mass   1.00783
 Atom    31 has atomic number  1 and mass   1.00783
 Atom    32 has atomic number  1 and mass   1.00783
 Atom    33 has atomic number  1 and mass   1.00783
 Molecular mass:   206.13068 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --  1287.498276738.777736840.31589
           X            0.99998  -0.00191   0.00550
           Y            0.00191   1.00000   0.00032
           Z           -0.00550  -0.00031   0.99998
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.06727     0.01285     0.01266
 Rotational constants (GHZ):           1.40174     0.26781     0.26384
 Zero-point vibrational energy     746965.1 (Joules/Mol)
                                  178.52894 (Kcal/Mol)
 Warning -- explicit consideration of  22 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     35.05    56.07    71.41    81.13   124.06
          (Kelvin)            147.50   248.99   303.14   322.84   345.30
                              355.50   384.71   403.39   487.83   512.91
                              561.35   584.57   607.33   608.42   722.87
                              745.53   860.32   903.55   923.38   957.79
                             1012.13  1107.06  1119.97  1177.83  1206.60
                             1226.39  1233.06  1255.41  1295.57  1356.12
                             1378.65  1395.23  1400.98  1413.23  1459.79
                             1506.26  1559.31  1575.47  1588.17  1597.25
                             1649.11  1671.66  1730.58  1745.42  1760.32
                             1779.02  1790.62  1842.33  1883.94  1884.93
                             1941.79  1965.66  1978.77  1997.10  2003.66
                             2021.60  2037.17  2049.91  2101.74  2142.65
                             2143.19  2146.97  2154.44  2156.65  2170.58
                             2175.99  2232.90  2327.17  2385.80  2598.07
                             4320.50  4353.58  4355.79  4363.67  4384.21
                             4408.05  4418.07  4439.76  4443.44  4447.96
                             4455.49  4475.75  4502.98  4549.09  4556.93
                             4573.57  4583.11  5357.36
 
 Zero-point correction=                           0.284504 (Hartree/Particle)
 Thermal correction to Energy=                    0.300043
 Thermal correction to Enthalpy=                  0.300987
 Thermal correction to Gibbs Free Energy=         0.240275
 Sum of electronic and zero-point Energies=           -656.739092
 Sum of electronic and thermal Energies=              -656.723554
 Sum of electronic and thermal Enthalpies=            -656.722610
 Sum of electronic and thermal Free Energies=         -656.783321
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  188.280             58.568            127.778
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             41.874
 Rotational               0.889              2.981             32.451
 Vibrational            186.502             52.607             53.453
 Vibration     1          0.593              1.985              6.242
 Vibration     2          0.594              1.981              5.311
 Vibration     3          0.595              1.978              4.832
 Vibration     4          0.596              1.975              4.580
 Vibration     5          0.601              1.959              3.744
 Vibration     6          0.605              1.947              3.406
 Vibration     7          0.627              1.876              2.402
 Vibration     8          0.643              1.825              2.038
 Vibration     9          0.649              1.804              1.923
 Vibration    10          0.657              1.779              1.803
 Vibration    11          0.661              1.768              1.751
 Vibration    12          0.672              1.733              1.613
 Vibration    13          0.680              1.710              1.531
 Vibration    14          0.719              1.597              1.217
 Vibration    15          0.732              1.562              1.137
 Vibration    16          0.758              1.491              1.000
 Vibration    17          0.771              1.457              0.940
 Vibration    18          0.784              1.422              0.885
 Vibration    19          0.785              1.421              0.882
 Vibration    20          0.858              1.245              0.652
 Vibration    21          0.873              1.210              0.614
 Vibration    22          0.956              1.036              0.453
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.302725-110       -110.518952       -254.479292
 Total V=0       0.220635D+21         20.343674         46.843039
 Vib (Bot)       0.943697-125       -125.025168       -287.881087
 Vib (Bot)    1  0.850060D+01          0.929450          2.140137
 Vib (Bot)    2  0.530971D+01          0.725071          1.669537
 Vib (Bot)    3  0.416508D+01          0.619623          1.426734
 Vib (Bot)    4  0.366352D+01          0.563898          1.298423
 Vib (Bot)    5  0.238606D+01          0.377682          0.869644
 Vib (Bot)    6  0.200086D+01          0.301216          0.693575
 Vib (Bot)    7  0.116335D+01          0.065711          0.151306
 Vib (Bot)    8  0.942423D+00         -0.025754         -0.059301
 Vib (Bot)    9  0.879904D+00         -0.055565         -0.127942
 Vib (Bot)   10  0.817028D+00         -0.087763         -0.202082
 Vib (Bot)   11  0.790975D+00         -0.101837         -0.234489
 Vib (Bot)   12  0.723730D+00         -0.140424         -0.323337
 Vib (Bot)   13  0.685613D+00         -0.163921         -0.377442
 Vib (Bot)   14  0.547971D+00         -0.261242         -0.601532
 Vib (Bot)   15  0.515347D+00         -0.287901         -0.662916
 Vib (Bot)   16  0.460102D+00         -0.337146         -0.776308
 Vib (Bot)   17  0.436652D+00         -0.359865         -0.828620
 Vib (Bot)   18  0.415297D+00         -0.381641         -0.878761
 Vib (Bot)   19  0.414315D+00         -0.382669         -0.881128
 Vib (Bot)   20  0.326421D+00         -0.486221         -1.119566
 Vib (Bot)   21  0.312031D+00         -0.505802         -1.164653
 Vib (Bot)   22  0.250244D+00         -0.601636         -1.385319
 Vib (V=0)       0.687794D+06          5.837458         13.441244
 Vib (V=0)    1  0.901529D+01          0.954980          2.198922
 Vib (V=0)    2  0.583320D+01          0.765907          1.763565
 Vib (V=0)    3  0.469498D+01          0.671634          1.546494
 Vib (V=0)    4  0.419748D+01          0.622988          1.434484
 Vib (V=0)    5  0.293789D+01          0.468035          1.077691
 Vib (V=0)    6  0.256238D+01          0.408644          0.940937
 Vib (V=0)    7  0.176625D+01          0.247052          0.568858
 Vib (V=0)    8  0.156685D+01          0.195027          0.449065
 Vib (V=0)    9  0.151204D+01          0.179564          0.413462
 Vib (V=0)   10  0.145788D+01          0.163722          0.376984
 Vib (V=0)   11  0.143576D+01          0.157081          0.361692
 Vib (V=0)   12  0.137965D+01          0.139769          0.321830
 Vib (V=0)   13  0.134857D+01          0.129872          0.299042
 Vib (V=0)   14  0.124180D+01          0.094053          0.216565
 Vib (V=0)   15  0.121804D+01          0.085662          0.197243
 Vib (V=0)   16  0.117948D+01          0.071691          0.165074
 Vib (V=0)   17  0.116383D+01          0.065888          0.151713
 Vib (V=0)   18  0.114998D+01          0.060690          0.139743
 Vib (V=0)   19  0.114935D+01          0.060453          0.139198
 Vib (V=0)   20  0.109712D+01          0.040254          0.092688
 Vib (V=0)   21  0.108938D+01          0.037178          0.085605
 Vib (V=0)   22  0.105913D+01          0.024948          0.057444
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.116324D+09          8.065668         18.571887
 Rotational      0.275770D+07          6.440548         14.829909
 
                                                          ROA calculations.
                                                             IR Spectrum
 
     3        33333333333333333                           111111111111111111111111111111111111                                       
     7        11111100000000000                           8665554444444443333333222222111100009999998888877766655544433322222211     
     2        87663199887643220                           051510999986210987651084321064109841877540755317606429102209538644217085532
     4        59720171861473763                           687229972091565385600905633326045475240830372998936288823260690770413366094
 
     X        XXXXXXXXXXXXXXXXX                           XXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXX XXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXX
     X             XX X   X XXX                           X  X           X            XX X X        X      X XXX                     
     X              X X     XX                            X              X            XX X X               X  XX                     
     X              X X                                   X                           X    X                   X                     
     X              X                                     X                           X                        X                     
                    X                                     X                           X                                              
                                                          X                           X                                              
                                                          X                           X                                              
                                                          X                           X                                              
                                                          X                           X                                              
                                                          X                           X                                              
                                                          X                           X                                              
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000001178    0.000001280   -0.000000052
      2        6          -0.000001173    0.000000552    0.000000244
      3        6          -0.000000695   -0.000000641   -0.000002328
      4        6           0.000006063    0.000003035    0.000003642
      5        6          -0.000004768    0.000000520    0.000001781
      6        6           0.000003605   -0.000000223    0.000000922
      7        6          -0.000000279   -0.000000691    0.000002011
      8        6           0.000002423    0.000001264   -0.000001038
      9        6          -0.000001382   -0.000003848   -0.000000662
     10        6           0.000000641   -0.000000141   -0.000002315
     11        6          -0.000006060   -0.000004646   -0.000007542
     12        6           0.000000251   -0.000001668    0.000003198
     13        8           0.000000828    0.000001403   -0.000000760
     14        8           0.000000220    0.000002144    0.000001309
     15        1           0.000000913   -0.000001477   -0.000000384
     16        1           0.000000636   -0.000000121    0.000000020
     17        1           0.000000925   -0.000000300    0.000000159
     18        1          -0.000000870   -0.000000548    0.000000174
     19        1           0.000000350   -0.000000158    0.000000025
     20        1           0.000000335   -0.000000978   -0.000001909
     21        1          -0.000000210    0.000000238    0.000000607
     22        1           0.000000739    0.000000270   -0.000000704
     23        1          -0.000000254    0.000001292   -0.000000263
     24        1          -0.000000369    0.000000341   -0.000000512
     25        1          -0.000000680   -0.000000283    0.000000673
     26        1           0.000000238    0.000000085    0.000000080
     27        1          -0.000000070    0.000000076    0.000000447
     28        1           0.000000639   -0.000000423    0.000000682
     29        6          -0.000001262    0.000004214    0.000003095
     30        1           0.000000909   -0.000000468    0.000000046
     31        1          -0.000001047   -0.000000100   -0.000000501
     32        1           0.000000423    0.000000418   -0.000000173
     33        1           0.000000160   -0.000000422    0.000000027
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000007542 RMS     0.000001834
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.208890D+03  0.614314D+01  0.769430D+01
      2   0.614314D+01  0.151633D+03 -0.880309D+01
      3   0.769430D+01 -0.880309D+01  0.136766D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1   0.652471D+01  0.440012D+01 -0.867037D+00
      2  -0.979916D+01  0.855805D+01 -0.504334D+02
      3  -0.340225D+02  0.498715D+02 -0.164682D+02
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1  -0.194048D+03  0.222934D+02 -0.396929D+02
      2   0.854601D+02 -0.237619D+02 -0.438118D+01
      3   0.108587D+03  0.146849D+01  0.440741D+02
      4   0.318291D+02 -0.108507D+03  0.243852D+02
      5   0.196711D+02  0.274764D+02 -0.972836D+02
      6   0.501216D+01  0.224794D+02  0.276937D+02
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    99 ND12= 1 LenFil=    3567:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.829170D+01  0.127452D+01  0.228273D+01  0.109834D+02 -0.388393D+00
      2   0.127452D+01 -0.149357D+01 -0.931870D-01 -0.388393D+00  0.206334D+01
      3   0.228273D+01 -0.931870D-01  0.492329D+00  0.120753D+01  0.928965D+00
                 6             7             8             9            10 
      1   0.120753D+01 -0.524579D+00 -0.173099D+01  0.967514D-01 -0.270659D+02
      2   0.928965D+00 -0.173099D+01  0.802901D+00  0.649279D+00  0.107184D+00
      3  -0.655920D+00  0.967514D-01  0.649279D+00 -0.390411D+01 -0.321205D+01
                11            12            13            14            15 
      1   0.107184D+00 -0.321205D+01  0.180328D+00 -0.131348D+01 -0.176211D+01
      2  -0.245800D+01  0.676783D+00 -0.131348D+01 -0.167336D+01 -0.419154D+00
      3   0.676783D+00 -0.186058D+01 -0.176211D+01 -0.419154D+00 -0.966459D+00
                16            17            18            19            20 
      1  -0.635367D+01 -0.165916D+01 -0.400582D+01 -0.629609D+01 -0.663624D+00
      2  -0.165916D+01 -0.629325D+00 -0.611120D+00 -0.663624D+00  0.431682D+00
      3  -0.400582D+01 -0.611120D+00 -0.293153D+01 -0.246643D+01 -0.123593D+01
                21            22            23            24            25 
      1  -0.246643D+01  0.855691D+01  0.480549D+00  0.258789D+01 -0.871631D+01
      2  -0.123593D+01  0.480549D+00  0.285446D+01  0.113027D+01 -0.741210D+00
      3   0.199382D+01  0.258789D+01  0.113027D+01  0.876204D+00 -0.398000D+00
                26            27            28            29            30 
      1  -0.741210D+00 -0.398000D+00  0.230422D+02  0.143225D+01  0.428559D+01
      2   0.175479D+01  0.749925D+00  0.143225D+01  0.223880D+01 -0.843784D-01
      3   0.749925D+00 -0.171600D+01  0.428559D+01 -0.843784D-01  0.255922D+01
                31            32            33            34            35 
      1   0.976474D+00  0.101405D+01  0.170347D+01  0.371913D+01  0.199415D+01
      2   0.101405D+01 -0.648177D+00  0.708784D+00  0.199415D+01  0.197658D+01
      3   0.170347D+01  0.708784D+00  0.187255D+01  0.493312D+01  0.839508D+00
                36            37            38            39            40 
      1   0.493312D+01 -0.957626D+01 -0.125330D+01 -0.280014D+01 -0.115532D+02
      2   0.839508D+00 -0.125330D+01  0.321032D+01  0.110505D+00 -0.758344D+00
      3   0.214428D+01 -0.280014D+01  0.110505D+00 -0.742684D+00 -0.115110D+01
                41            42            43            44            45 
      1  -0.758344D+00 -0.115110D+01  0.528623D+00  0.178660D+01  0.306716D+00
      2  -0.146544D+01 -0.145522D+01  0.178660D+01 -0.863788D+00 -0.996663D+00
      3  -0.145522D+01 -0.482031D-01  0.306716D+00 -0.996663D+00  0.393115D+01
                46            47            48            49            50 
      1   0.711183D+01  0.557445D+00  0.257547D+01 -0.757113D+01  0.782423D+00
      2   0.557445D+00 -0.158286D+01  0.132603D+01  0.782423D+00 -0.201961D+01
      3   0.257547D+01  0.132603D+01 -0.160041D+01 -0.236188D+01 -0.116949D+01
                51            52            53            54            55 
      1  -0.236188D+01  0.103864D+02  0.331434D+00 -0.167342D+00  0.153893D+02
      2  -0.116949D+01  0.331434D+00 -0.342623D+01 -0.117582D+01 -0.171745D+01
      3  -0.105235D+01 -0.167342D+00 -0.117582D+01  0.138683D+01 -0.135580D+01
                56            57            58            59            60 
      1  -0.171745D+01 -0.135580D+01 -0.396720D+01  0.361029D+01  0.142069D+01
      2   0.197719D+01  0.945261D+00  0.361029D+01  0.474514D+01  0.212375D+01
      3   0.945261D+00  0.143536D+01  0.142069D+01  0.212375D+01 -0.260224D+01
                61            62            63            64            65 
      1  -0.500886D+01  0.166417D+01  0.357548D+01 -0.101417D+01  0.309148D+01
      2   0.166417D+01  0.834418D+00 -0.209120D+01  0.309148D+01 -0.118865D+01
      3   0.357548D+01 -0.209120D+01  0.459839D+01  0.566166D+01 -0.801948D+00
                66            67            68            69            70 
      1   0.566166D+01  0.739386D+01 -0.122385D+01 -0.102439D+01  0.131987D+02
      2  -0.801948D+00 -0.122385D+01 -0.464572D+01 -0.711282D+00 -0.175581D+01
      3   0.370149D+00 -0.102439D+01 -0.711282D+00  0.330452D+01  0.467334D+00
                71            72            73            74            75 
      1  -0.175581D+01  0.467334D+00  0.170780D+00 -0.331956D+01 -0.458275D+01
      2  -0.897551D+00  0.341116D+01 -0.331956D+01  0.194489D+01  0.126062D+01
      3   0.341116D+01 -0.141372D+01 -0.458275D+01  0.126062D+01  0.231724D+00
                76            77            78            79            80 
      1  -0.393261D+01  0.994501D+00  0.803991D+00 -0.626497D+01  0.154161D+01
      2   0.994501D+00  0.290292D+01  0.900513D+00  0.154161D+01  0.120055D+01
      3   0.803991D+00  0.900513D+00 -0.341802D+01  0.743144D+00 -0.424642D+01
                81            82            83            84            85 
      1   0.743144D+00  0.436040D+00 -0.201652D+01 -0.520264D+01 -0.318932D+01
      2  -0.424642D+01 -0.201652D+01  0.132747D+01  0.841547D+00  0.174543D+01
      3   0.258673D+01 -0.520264D+01  0.841547D+00  0.928365D+00  0.177632D+01
                86            87            88            89            90 
      1   0.174543D+01  0.177632D+01 -0.653508D+01  0.144393D+01  0.288174D+00
      2   0.623895D+01  0.330295D+00  0.144393D+01  0.118242D+01 -0.282681D+01
      3   0.330295D+00 -0.295185D+01  0.288174D+00 -0.282681D+01  0.601270D+00
                91            92            93            94            95 
      1  -0.271960D+01  0.822291D+00  0.476985D+00 -0.144809D+01 -0.237304D+01
      2   0.822291D+00 -0.121098D+01 -0.292359D+00 -0.237304D+01  0.173803D+01
      3   0.476985D+00 -0.292359D+00 -0.203389D+01 -0.181496D+01 -0.406111D+01
                96            97            98            99           100 
      1  -0.181496D+01  0.438187D+01 -0.126161D+01 -0.484423D+01 -0.197065D+01
      2  -0.406111D+01 -0.126161D+01 -0.320982D+01 -0.593881D+00 -0.200778D+01
      3  -0.214487D+01 -0.484423D+01 -0.593881D+00 -0.931924D+00 -0.246564D+00
               101           102           103           104           105 
      1  -0.200778D+01 -0.246564D+00 -0.381766D+01 -0.163940D+01  0.180217D+01
      2  -0.108737D+01  0.172131D+00 -0.163940D+01 -0.268319D+01  0.208692D+01
      3   0.172131D+00  0.121588D+01  0.180217D+01  0.208692D+01 -0.131484D+01
               106           107           108           109           110 
      1  -0.247820D+00  0.901395D+00  0.144631D+01  0.492625D+01  0.354847D+01
      2   0.901395D+00  0.206838D+01 -0.501863D+00  0.354847D+01  0.231563D+01
      3   0.144631D+01 -0.501863D+00 -0.147998D+01 -0.149565D+01 -0.403593D+00
               111           112           113           114           115 
      1  -0.149565D+01  0.803158D+01  0.352409D+01 -0.168321D+01 -0.346697D+01
      2  -0.403593D+00  0.352409D+01  0.794880D+01 -0.149743D+01 -0.102041D+01
      3   0.696496D+00 -0.168321D+01 -0.149743D+01  0.301956D+01  0.181475D+01
               116           117           118           119           120 
      1  -0.102041D+01  0.181475D+01 -0.910162D+00 -0.104442D+01  0.186489D+01
      2  -0.217031D+01  0.225804D+01 -0.104442D+01  0.956940D-02 -0.523808D+00
      3   0.225804D+01 -0.229632D+01  0.186489D+01 -0.523808D+00 -0.250958D+01
               121           122           123           124           125 
      1  -0.414065D+01  0.178628D+01  0.522346D+00  0.275286D+01 -0.810915D+00
      2   0.178628D+01 -0.469320D+01 -0.148144D+01 -0.810915D+00  0.181401D+00
      3   0.522346D+00 -0.148144D+01 -0.128175D+01 -0.254836D+01 -0.552276D+00
               126           127           128           129           130 
      1  -0.254836D+01 -0.190609D+01  0.138265D+01 -0.115501D+01  0.146468D+01
      2  -0.552276D+00  0.138265D+01 -0.983685D+00  0.860131D+00 -0.156298D+01
      3   0.278993D+01 -0.115501D+01  0.860131D+00 -0.116187D+01  0.109949D+01
               131           132           133           134           135 
      1  -0.156298D+01  0.109949D+01 -0.169401D+01  0.151068D+01 -0.125638D+01
      2   0.416605D+01 -0.274164D+01  0.151068D+01 -0.274161D+01  0.221297D+01
      3  -0.274164D+01  0.279827D+01 -0.125638D+01  0.221297D+01 -0.259722D+01
               136           137           138           139           140 
      1   0.384820D+01  0.210505D+01 -0.506050D+00  0.260278D+01  0.261525D+01
      2   0.210505D+01  0.202632D+01 -0.352313D+00  0.261525D+01  0.448896D+01
      3  -0.506050D+00 -0.352313D+00  0.515965D+00 -0.934794D+00 -0.143117D+01
               141           142           143           144           145 
      1  -0.934794D+00 -0.767181D+00 -0.783455D+00  0.344272D+00  0.191197D+01
      2  -0.143117D+01 -0.783455D+00 -0.185613D+01  0.776894D+00 -0.147098D+01
      3   0.125355D+01  0.344272D+00  0.776894D+00 -0.759409D+00  0.142326D+01
               146           147           148           149           150 
      1  -0.147098D+01  0.142326D+01 -0.151039D+01  0.179823D+01 -0.122397D+01
      2   0.141044D+01 -0.108222D+01  0.179823D+01 -0.532392D+01  0.297454D+01
      3  -0.108222D+01  0.125841D+01 -0.122397D+01  0.297454D+01 -0.269178D+01
               151           152           153           154           155 
      1   0.141581D+01 -0.155054D+01  0.116553D+01 -0.343571D+01 -0.241222D+01
      2  -0.155054D+01  0.320911D+01 -0.220905D+01 -0.241222D+01 -0.279812D+01
      3   0.116553D+01 -0.220905D+01  0.213541D+01  0.614338D+00  0.369248D+00
               156           157           158           159           160 
      1   0.614338D+00 -0.285525D+01 -0.316092D+01  0.944083D+00  0.512412D+00
      2   0.369248D+00 -0.316092D+01 -0.598880D+01  0.142331D+01  0.668323D+00
      3  -0.399022D+00  0.944083D+00  0.142331D+01 -0.108119D+01 -0.414234D+00
               161           162           163           164           165 
      1   0.668323D+00 -0.414234D+00 -0.251724D+01 -0.171800D+01 -0.312020D+00
      2   0.196085D+01 -0.766415D+00 -0.171800D+01 -0.154391D+01 -0.719868D+00
      3  -0.766415D+00  0.528988D+00 -0.312020D+00 -0.719868D+00 -0.735670D+00
               166           167           168           169           170 
      1  -0.381463D+01 -0.258329D+01 -0.125389D+01  0.151117D+01 -0.663025D+00
      2  -0.258329D+01 -0.693849D+01 -0.250054D+01 -0.663025D+00 -0.108675D+01
      3  -0.125389D+01 -0.250054D+01 -0.165828D+01 -0.846476D+00 -0.121647D+01
               171           172           173           174           175 
      1  -0.846476D+00 -0.108189D+01  0.740597D+00 -0.125321D+01  0.327783D+01
      2  -0.121647D+01  0.740597D+00 -0.400664D+00  0.477337D-01 -0.925268D+00
      3  -0.149324D+01 -0.125321D+01  0.477337D-01 -0.933641D+00  0.775851D+00
               176           177           178           179           180 
      1  -0.925268D+00  0.775851D+00 -0.197866D+01  0.249511D+00 -0.227227D+01
      2   0.595546D+00 -0.150458D+01  0.249511D+00 -0.104145D+01  0.119318D+01
      3  -0.150458D+01  0.257567D+01 -0.227227D+01  0.119318D+01 -0.818652D+01
               181           182           183           184           185 
      1  -0.109509D+02 -0.112220D+01 -0.368331D+01 -0.191466D+01 -0.164820D+01
      2  -0.112220D+01 -0.110047D+01 -0.167540D+00 -0.164820D+01  0.252069D-01
      3  -0.368331D+01 -0.167540D+00 -0.216930D+01 -0.964183D-01 -0.609704D+00
               186           187           188           189           190 
      1  -0.964183D-01 -0.507313D+01  0.260359D-01 -0.274151D+01 -0.202341D+00
      2  -0.609704D+00  0.260359D-01 -0.596800D+00 -0.719208D+00  0.110999D+01
      3  -0.775189D+00 -0.274151D+01 -0.719208D+00 -0.223674D+01 -0.621864D+00
               191           192           193           194           195 
      1   0.110999D+01 -0.621864D+00  0.102625D+01 -0.660080D+00  0.228422D+00
      2  -0.370758D+00  0.224207D-01 -0.660080D+00  0.313913D+01 -0.231161D+01
      3   0.224207D-01 -0.237675D+00  0.228422D+00 -0.231161D+01  0.237093D+01
               196           197           198           199           200 
      1  -0.111574D+01  0.546575D+00 -0.481902D+00  0.594788D+01  0.384285D+00
      2   0.546575D+00 -0.348013D+01  0.315384D+01  0.384285D+00  0.184569D+01
      3  -0.481902D+00  0.315384D+01 -0.533101D+01  0.164885D+01  0.422109D+00
               201           202           203           204           205 
      1   0.164885D+01  0.302084D+00  0.986433D+00  0.211927D+00  0.192057D+01
      2   0.422109D+00  0.986433D+00  0.864170D+00  0.432836D+00  0.340527D+00
      3   0.137554D+01  0.211927D+00  0.432836D+00  0.767455D+00  0.100623D+01
               206           207           208           209           210 
      1   0.340527D+00  0.100623D+01 -0.616514D+01  0.354317D+01  0.257188D+01
      2   0.101099D+01  0.111044D+01  0.354317D+01 -0.314044D+01 -0.126936D+01
      3   0.111044D+01  0.135223D+01  0.257188D+01 -0.126936D+01 -0.172476D+01
               211           212           213           214           215 
      1   0.258137D+01 -0.268191D+01 -0.108167D+01  0.333427D+01 -0.187692D+01
      2  -0.268191D+01  0.271756D+01  0.119341D+01 -0.187692D+01  0.199458D+01
      3  -0.108167D+01  0.119341D+01  0.116367D+01 -0.228926D+01  0.198248D+01
               216           217           218           219           220 
      1  -0.228926D+01  0.626717D+01  0.427228D+00  0.131887D+01  0.478617D+00
      2   0.198248D+01  0.427228D+00  0.786907D+00 -0.182056D+00  0.358895D+00
      3   0.204776D+01  0.131887D+01 -0.182056D+00  0.233816D+01  0.325516D-01
               221           222           223           224           225 
      1   0.358895D+00  0.325516D-01  0.147562D+01 -0.967108D-01  0.140345D+01
      2  -0.415957D+00  0.482912D+00 -0.967108D-01  0.530564D+00  0.198541D+00
      3   0.482912D+00  0.739852D+00  0.140345D+01  0.198541D+00  0.267903D+01
               226           227           228           229           230 
      1  -0.107205D+01 -0.139698D+01  0.683120D+00 -0.203163D+01 -0.207861D+01
      2  -0.139698D+01 -0.141796D+01  0.745329D-01 -0.207861D+01 -0.850745D+01
      3   0.683120D+00  0.745329D-01 -0.423699D+00  0.432855D+00  0.853823D+00
               231           232           233           234           235 
      1   0.432855D+00  0.217230D+00 -0.830425D-01 -0.300265D+00 -0.687581D+01
      2   0.853823D+00 -0.830425D-01 -0.343443D+00 -0.756530D+00  0.978751D+00
      3  -0.126780D+01 -0.300265D+00 -0.756530D+00 -0.423011D-01  0.423559D+01
               236           237           238           239           240 
      1   0.978751D+00  0.423559D+01  0.241209D+01 -0.147982D+01 -0.145658D+01
      2  -0.123886D+01 -0.469878D+00 -0.147982D+01  0.481260D+00  0.877585D+00
      3  -0.469878D+00 -0.318059D+01 -0.145658D+01  0.877585D+00  0.180124D+01
               241           242           243           244           245 
      1   0.396337D+01 -0.581840D+00 -0.349813D+01 -0.722726D-01 -0.168009D+01
      2  -0.581840D+00  0.556340D+00  0.834600D+00 -0.168009D+01  0.897380D+00
      3  -0.349813D+01  0.834600D+00  0.395166D+01  0.424647D+00 -0.413609D+00
               246           247           248           249           250 
      1   0.424647D+00 -0.270669D+01  0.147383D+01 -0.747365D+00  0.604067D+00
      2  -0.413609D+00  0.147383D+01 -0.450522D+01  0.192826D+01 -0.576972D+00
      3   0.733778D+00 -0.747365D+00  0.192826D+01 -0.188032D+01  0.138730D+01
               251           252           253           254           255 
      1  -0.576972D+00  0.138730D+01 -0.699470D+01 -0.139306D+01 -0.575408D+01
      2   0.204952D+01 -0.148875D+01 -0.139306D+01  0.607022D+00 -0.500992D+00
      3  -0.148875D+01  0.247397D+01 -0.575408D+01 -0.500992D+00  0.124694D+01
               256           257           258           259           260 
      1   0.243551D+01  0.215487D+01  0.112533D+01 -0.314942D+01  0.458707D+00
      2   0.215487D+01 -0.142685D+01  0.358914D+01  0.458707D+00  0.336054D+01
      3   0.112533D+01  0.358914D+01  0.253917D+01  0.257858D+01  0.111270D+01
               261           262           263           264           265 
      1   0.257858D+01  0.402328D+01 -0.129743D+01 -0.278580D+01  0.402633D+00
      2   0.111270D+01 -0.129743D+01  0.106768D+01  0.814553D+00  0.483165D+00
      3  -0.875880D+00 -0.278580D+01  0.814553D+00  0.267260D+01 -0.432747D+00
               266           267           268           269           270 
      1   0.483165D+00 -0.432747D+00 -0.393641D+01  0.120564D+01  0.378258D+01
      2  -0.655643D+00 -0.424286D+00  0.120564D+01 -0.140142D+01 -0.137731D+01
      3  -0.424286D+00  0.347213D+00  0.378258D+01 -0.137731D+01 -0.483277D+01
               271           272           273           274           275 
      1   0.346175D+00  0.903672D+00  0.157693D+00  0.142242D+01  0.511951D-01
      2   0.903672D+00 -0.675893D+00  0.204651D-01  0.511951D-01  0.581511D+01
      3   0.157693D+00  0.204651D-01 -0.331616D+00  0.232296D+00 -0.523411D+00
               276           277           278           279           280 
      1   0.232296D+00 -0.709557D+00 -0.981733D-01 -0.460297D+00  0.109756D+02
      2  -0.523411D+00 -0.981733D-01 -0.186903D+01  0.430344D+00  0.193441D+01
      3   0.121455D+01 -0.460297D+00  0.430344D+00 -0.124356D+01  0.491458D+01
               281           282           283           284           285 
      1   0.193441D+01  0.491458D+01  0.449678D+00  0.122523D+01  0.253697D+00
      2   0.150214D+01  0.120219D+01  0.122523D+01  0.630522D+00  0.414664D+00
      3   0.120219D+01  0.334384D+01  0.253697D+00  0.414664D+00 -0.117418D+00
               286           287           288           289           290 
      1   0.359740D+01  0.717085D+00  0.286191D+01 -0.186145D+01  0.170166D+00
      2   0.717085D+00  0.268525D+00  0.615565D+00  0.170166D+00 -0.906944D+00
      3   0.286191D+01  0.615565D+00  0.284577D+01  0.229321D+01 -0.573214D+00
               291           292           293           294           295 
      1   0.229321D+01 -0.525371D+00 -0.607126D+00 -0.135848D+00  0.202285D+01
      2  -0.573214D+00 -0.607126D+00  0.175851D+00  0.462104D+00 -0.955879D-01
      3  -0.336359D+01 -0.135848D+00  0.462104D+00 -0.735895D+00 -0.167714D+01
               296           297 
      1  -0.955879D-01 -0.167714D+01
      2   0.671314D+00  0.600320D+00
      3   0.600320D+00  0.621885D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.103716D+01  0.302179D+01 -0.157052D+00  0.455038D+01  0.954871D+00
      2   0.470526D+01 -0.430026D+01  0.444064D+01 -0.649842D+00 -0.499087D+01
      3  -0.122329D+02 -0.711539D+01  0.261923D+01 -0.336597D+00 -0.179701D+01
                 6             7             8             9            10 
      1  -0.213030D+01  0.488409D+01  0.290208D+01  0.767766D+00 -0.400009D+01
      2   0.169382D+01 -0.108612D+02 -0.327455D+01  0.826594D+00 -0.698085D+01
      3   0.124910D+01  0.520586D+01  0.809412D+00 -0.272450D+00  0.172551D+02
                11            12            13            14            15 
      1  -0.208008D+01  0.558965D+00 -0.897107D+01  0.449774D+01 -0.138024D+01
      2   0.134751D+01 -0.183039D+01  0.577217D+01  0.422695D+01 -0.204521D+01
      3   0.104777D+01  0.153385D+01  0.176980D+02  0.213392D+01  0.160316D+01
                16            17            18            19            20 
      1   0.293510D+01  0.614442D+01 -0.529160D+01  0.247661D+00 -0.718770D+00
      2  -0.143501D+02 -0.184631D+01  0.647502D-01  0.412071D+01 -0.792458D+00
      3  -0.596176D+00  0.132454D+01  0.904897D+00  0.495612D+01 -0.447027D+01
                21            22            23            24            25 
      1  -0.104341D+00 -0.164095D+01 -0.166689D+01 -0.281006D+01 -0.620227D+01
      2   0.110583D+01 -0.530263D+01  0.163091D+01 -0.552517D+00 -0.106265D+02
      3   0.273422D+01  0.206337D+00  0.347924D+00 -0.118044D+01  0.857226D+01
                26            27            28            29            30 
      1   0.182226D+01 -0.399763D+01  0.201390D+01 -0.411637D+01  0.331481D+01
      2   0.176276D+01 -0.286823D+01  0.529416D+01  0.200148D+01  0.511867D+00
      3  -0.136369D+01  0.433111D+01 -0.135966D+02  0.245085D+00 -0.388396D+01
                31            32            33            34            35 
      1  -0.638219D+01  0.396129D+01 -0.965991D+00  0.709709D+01  0.643154D+01
      2   0.424520D+01  0.466139D+01  0.127954D+01 -0.867572D+01 -0.938165D+00
      3   0.190879D+02  0.359645D+01  0.161015D+01 -0.729510D+01  0.588279D+00
                36            37            38            39            40 
      1  -0.200046D+01 -0.345102D+01  0.990171D+00 -0.976400D+00  0.602029D+00
      2  -0.491750D+01  0.847382D+00 -0.427046D+01  0.391869D+01 -0.955174D+00
      3  -0.572025D+01  0.477387D+01 -0.432655D+01  0.531102D+01  0.130468D+02
                41            42            43            44            45 
      1   0.458888D+00 -0.216324D+01  0.328543D+01  0.189548D+01  0.395245D+01
      2  -0.389881D+01 -0.142057D+00 -0.993857D+01 -0.307197D+01  0.960465D+00
      3   0.273494D+00  0.338911D+01  0.437230D+01  0.354238D+00  0.778568D+00
                46            47            48            49            50 
      1   0.423628D+01  0.979779D+00 -0.172740D+01 -0.450063D+01 -0.534172D+00
      2   0.591273D+01 -0.114484D+01  0.147337D+01 -0.715419D+01  0.179216D+01
      3  -0.694225D+01 -0.413333D+01 -0.162761D+01  0.966591D+01 -0.919034D+00
                51            52            53            54            55 
      1  -0.357076D+01 -0.571635D+01  0.250336D+01 -0.151547D+01  0.262980D+01
      2  -0.279506D-01 -0.659507D+01  0.279743D+01 -0.303037D+01  0.215210D+02
      3   0.149335D+01 -0.580905D+01 -0.293906D+01  0.113553D+01 -0.155950D+02
                56            57            58            59            60 
      1  -0.629991D+00 -0.123355D+01 -0.380156D+01 -0.674611D+01 -0.726910D+01
      2  -0.480844D+01 -0.303037D+01 -0.938818D+01 -0.906213D+00  0.109420D+02
      3   0.496827D+01  0.351350D+01  0.231558D+02  0.138975D+02  0.652695D+01
                61            62            63            64            65 
      1  -0.177350D+01 -0.925646D+00  0.719028D+01 -0.233344D+01 -0.112937D+00
      2  -0.266770D+02  0.107459D+02 -0.107935D+02 -0.323686D+02  0.474438D+01
      3   0.899675D+01  0.232269D+01 -0.112634D+02  0.188121D+02 -0.886746D+01
                66            67            68            69            70 
      1   0.420372D+00  0.406092D+01  0.497105D+00 -0.418728D+01 -0.173757D+00
      2   0.325931D+01  0.107240D+02  0.775455D+00 -0.137524D+02  0.396231D+01
      3  -0.291761D+01 -0.295714D+01 -0.199477D+02 -0.377945D+01 -0.117004D+02
                71            72            73            74            75 
      1   0.345972D+01 -0.423384D+00  0.914317D+01 -0.294292D+01 -0.951098D+00
      2  -0.153651D+02  0.635838D+01  0.198718D+02 -0.460822D+01  0.110614D+01
      3  -0.433701D+01  0.156979D+02 -0.167271D+02 -0.323440D+01 -0.414438D+01
                76            77            78            79            80 
      1  -0.190968D+01 -0.260684D+01  0.582147D+01 -0.320701D+01  0.131997D+02
      2  -0.374423D+01 -0.330873D+01  0.134348D+02 -0.578369D+01  0.168649D+02
      3  -0.209072D+01  0.153288D+02  0.574092D+01 -0.520194D+01  0.827281D+01
                81            82            83            84            85 
      1  -0.585239D+01 -0.600862D+01  0.295122D+01  0.274417D+01  0.531768D+01
      2  -0.100432D+02  0.247435D+02 -0.237471D+01  0.804563D+01 -0.465820D+01
      3  -0.168118D+02 -0.887661D+01  0.490769D+01  0.871842D+01  0.117077D+02
                86            87            88            89            90 
      1   0.116399D+02 -0.506776D+01  0.338147D+01  0.169344D+01 -0.454531D+01
      2  -0.308160D+01  0.108480D+02  0.577069D+01  0.108339D+02 -0.362909D+01
      3   0.259847D+02  0.440261D+00  0.120094D+02  0.451311D+01 -0.131541D+02
                91            92            93            94            95 
      1  -0.171050D+01 -0.202815D+01  0.386399D-01 -0.556130D+01  0.198571D+01
      2   0.109415D+02 -0.521356D+00 -0.752809D+00 -0.317321D+01 -0.102726D+02
      3  -0.164781D+01 -0.118222D+01  0.721697D+00  0.146104D+02 -0.614714D+01
                96            97            98            99           100 
      1  -0.865129D+01  0.149517D+01  0.190541D+00 -0.462523D-01  0.189204D+01
      2  -0.390708D+01 -0.292611D+02 -0.190126D+01  0.428540D+00 -0.218889D+02
      3   0.139060D+02  0.335037D+01  0.112979D+02  0.297202D+01  0.450839D+01
               101           102           103           104           105 
      1   0.572298D+01  0.254244D+01  0.352212D+01  0.205276D+01  0.488233D+01
      2   0.266019D+01  0.768998D+01  0.777941D+01  0.725220D+01 -0.685134D+01
      3   0.666726D+00 -0.119011D+01  0.557643D+01  0.135232D+02 -0.899303D+01
               106           107           108           109           110 
      1  -0.960147D+00  0.455195D+01  0.216907D+00 -0.138937D+01 -0.279144D+01
      2  -0.120230D+01 -0.250513D+01  0.756803D+01  0.450406D+00 -0.136790D+01
      3  -0.884238D+00 -0.155937D+02  0.672381D+00 -0.110230D+02 -0.114212D+02
               111           112           113           114           115 
      1  -0.305031D+01 -0.195932D+00 -0.555064D+01 -0.717321D+01 -0.616341D+00
      2   0.548772D+01 -0.857337D+01 -0.713566D+01  0.127347D+02  0.574968D+01
      3   0.153019D+01 -0.434755D+01 -0.329750D+02  0.520025D+01 -0.991266D+00
               116           117           118           119           120 
      1   0.312962D+01  0.113359D+01  0.299638D+01 -0.992606D+00 -0.126843D+01
      2   0.905238D+01 -0.124624D+02  0.842399D+01 -0.338416D+01 -0.625695D+01
      3   0.112329D+02 -0.868038D+01  0.503775D+01 -0.229012D+01 -0.507934D-01
               121           122           123           124           125 
      1   0.297083D+01  0.343812D+01 -0.693511D+01 -0.229819D+01  0.200774D+01
      2   0.298035D+01 -0.452269D+01 -0.583233D+01 -0.828374D+01 -0.283671D+01
      3   0.641981D+00  0.185051D+02  0.347231D+01  0.203969D+01  0.144128D+01
               126           127           128           129           130 
      1   0.290996D+01 -0.107330D+01  0.105510D+01  0.102444D+01  0.145208D+01
      2   0.738390D+01 -0.331579D+01  0.114883D+01 -0.111020D+00  0.213872D+01
      3   0.526708D+01 -0.323590D+01  0.609259D+00 -0.420343D+00  0.257325D+01
               131           132           133           134           135 
      1  -0.333790D+01 -0.120125D+01 -0.111843D+01  0.378442D+01 -0.355354D-01
      2   0.175067D+00 -0.157565D+01 -0.377460D+01  0.369874D+00  0.971181D+00
      3   0.125159D+01 -0.557134D+00 -0.203912D+01 -0.855329D+00  0.109225D+00
               136           137           138           139           140 
      1  -0.153012D+01 -0.234997D+01 -0.141129D+01 -0.121962D+01 -0.172208D+01
      2   0.437355D+01  0.187255D+01  0.587086D+00  0.221873D+01  0.140431D+01
      3   0.620589D+01  0.756111D+00 -0.566990D+00  0.438058D+01 -0.900701D+00
               141           142           143           144           145 
      1  -0.262975D+01  0.115655D+00  0.190300D+01  0.133121D+00  0.159678D+01
      2   0.120238D+01 -0.108085D+01 -0.521546D+00 -0.698406D+00 -0.123040D+01
      3  -0.151504D+00  0.488356D+00  0.117683D+01  0.379397D-01 -0.445239D+01
               146           147           148           149           150 
      1  -0.332526D+00  0.261849D+01 -0.703349D+00  0.411188D+00 -0.441093D+01
      2   0.202845D+00  0.381980D+00  0.959631D+00  0.474362D+00 -0.181191D+01
      3   0.101298D+01 -0.190788D+01  0.361541D+01 -0.254486D+00  0.929185D+00
               151           152           153           154           155 
      1   0.676626D+00  0.103832D+01  0.236470D+01  0.103042D+01 -0.684902D+00
      2  -0.248203D+01 -0.821933D-01  0.641606D+00  0.146753D+01  0.597631D+00
      3  -0.325068D+01  0.767300D+00 -0.125942D+01  0.725515D+01  0.856905D+00
               156           157           158           159           160 
      1  -0.208729D+01  0.159723D+01  0.162008D+01 -0.389932D+01 -0.469169D+00
      2   0.914614D+00  0.528088D-01  0.201588D+00  0.178364D+01 -0.124902D+01
      3  -0.113143D+01  0.518733D+01 -0.104106D+01 -0.567703D+00 -0.218638D-02
               161           162           163           164           165 
      1   0.740859D+00  0.839463D+00  0.215204D+01  0.183650D+01 -0.460910D-01
      2   0.108847D+00 -0.530115D+00 -0.311594D+01 -0.241049D+00  0.298536D+01
      3   0.121336D+01  0.975870D-01 -0.465887D+01 -0.507683D+01 -0.206371D+01
               166           167           168           169           170 
      1   0.261205D+01  0.920119D+01 -0.278722D+00  0.687622D+00  0.170210D+01
      2  -0.130940D+01  0.362432D+01  0.402971D+01  0.270903D+01  0.245415D+01
      3  -0.280246D+01 -0.215328D+02 -0.741843D+01 -0.344176D+01 -0.314726D+01
               171           172           173           174           175 
      1   0.957650D-01 -0.195952D+01  0.842467D+00 -0.575630D+00  0.152274D+01
      2   0.378234D+01  0.314673D+01  0.643940D+00  0.218702D+01  0.246011D+01
      3  -0.304262D+01  0.449211D+01 -0.305904D+01  0.107714D+01 -0.333090D+01
               176           177           178           179           180 
      1  -0.255258D+01  0.301846D+01 -0.171081D+01  0.527790D+01 -0.662947D+01
      2   0.350955D+01 -0.774419D+01  0.200195D+01 -0.345742D+01  0.235012D+02
      3   0.242639D+01 -0.563025D+01  0.174067D+01 -0.418409D+01  0.662426D+01
               181           182           183           184           185 
      1   0.386576D+00  0.104806D+01 -0.718684D-02  0.315407D+00  0.393598D-01
      2   0.933818D+01 -0.542724D-01  0.103929D+02 -0.112871D+01  0.174799D+01
      3  -0.412943D+01 -0.774602D+01 -0.330284D+00 -0.536504D+01  0.678825D+00
               186           187           188           189           190 
      1  -0.663466D+00 -0.189655D-01  0.154146D+01  0.265412D+00  0.983806D+00
      2   0.367826D+01  0.675916D+01  0.358447D+01  0.860341D+01  0.268637D+01
      3  -0.255658D+01  0.120468D+01 -0.317647D+01 -0.330405D+01  0.578641D+01
               191           192           193           194           195 
      1   0.497539D-01  0.992648D-01 -0.168198D+00  0.326751D+01 -0.631341D+01
      2   0.163521D+00  0.104277D+01  0.877591D-01  0.858689D+01 -0.894012D+01
      3  -0.216322D+00 -0.120763D+01  0.119498D+01  0.114754D+02 -0.945999D+01
               196           197           198           199           200 
      1   0.215006D+00 -0.337047D+01  0.118827D+02 -0.318395D+01  0.704542D-01
      2  -0.130984D+01 -0.115618D+02  0.206010D+02 -0.898722D+01 -0.155401D+01
      3  -0.139617D+01 -0.139663D+02  0.130685D+02  0.195346D+02  0.689026D+01
               201           202           203           204           205 
      1  -0.354922D+01 -0.297883D+00 -0.941876D+00 -0.231115D+01 -0.264098D+01
      2  -0.419813D+01 -0.758290D+00 -0.201072D+01 -0.240565D+01 -0.631496D+01
      3   0.578467D+01  0.755461D+01  0.463173D+01  0.276638D+01  0.586406D+01
               206           207           208           209           210 
      1  -0.660015D+00 -0.272655D+01 -0.569141D+01  0.187458D+01  0.482410D+01
      2  -0.409374D+01 -0.462163D+01 -0.102554D+02  0.509691D+01  0.886808D+01
      3   0.430896D+01  0.722807D+01  0.272325D+01 -0.876500D+01 -0.147246D+00
               211           212           213           214           215 
      1   0.279007D+01 -0.208340D+01 -0.388771D+01  0.488191D+01 -0.251897D+01
      2   0.368986D+01 -0.483617D+01 -0.552701D+01  0.786098D+01 -0.807234D+01
      3  -0.383570D+01  0.687803D+01  0.253759D+01 -0.330032D-01  0.579518D+01
               216           217           218           219           220 
      1  -0.480022D+01  0.603139D+00  0.233292D+01  0.110892D+01  0.130711D+01
      2  -0.910750D+01 -0.209988D+02  0.323019D+00 -0.114020D+02 -0.176707D+00
      3   0.440074D+01 -0.430126D+01  0.181919D+01 -0.200095D+01  0.370914D+01
               221           222           223           224           225 
      1  -0.159504D+00  0.195033D-01  0.877328D+00  0.207851D+01  0.190180D+01
      2  -0.278056D+01 -0.305508D+01 -0.117561D+02 -0.896283D+00 -0.132719D+02
      3  -0.202513D+01  0.160577D+01 -0.203414D+01  0.117085D+01 -0.628176D+00
               226           227           228           229           230 
      1  -0.133343D+01 -0.192230D+01 -0.582683D+00 -0.205735D+01 -0.123191D+02
      2  -0.280521D+01  0.116736D+01  0.165351D+01  0.828692D+00 -0.265877D+01
      3  -0.570176D+01 -0.533776D+01 -0.125090D+00 -0.324175D+01 -0.356112D+02
               231           232           233           234           235 
      1  -0.314206D+01 -0.232346D+00 -0.172816D+00 -0.113009D+01  0.482439D+01
      2   0.562863D+01 -0.404253D+00  0.304973D+01  0.828673D+00 -0.890852D+01
      3   0.285648D+01 -0.263950D+00 -0.167710D+01 -0.291122D+01  0.885955D+01
               236           237           238           239           240 
      1  -0.370799D+01 -0.289565D+01 -0.306615D+01  0.188422D+01  0.131727D+01
      2   0.438379D+00  0.102904D+02  0.255448D+01 -0.201336D+01 -0.683475D+01
      3  -0.846402D+01 -0.488210D+01 -0.722767D+01  0.347508D+01  0.440102D+01
               241           242           243           244           245 
      1  -0.394327D+01  0.317282D+01  0.364480D+01 -0.212008D+01  0.111004D+01
      2   0.732069D+01 -0.274593D+01 -0.137760D+02  0.147588D+01  0.275859D+00
      3  -0.534245D+01  0.393405D+01  0.602447D+01  0.547352D+01 -0.267935D+01
               246           247           248           249           250 
      1  -0.289722D+00  0.114199D+01 -0.533114D+01 -0.512495D+00 -0.646807D+00
      2   0.247913D+01  0.529859D+00  0.476468D+01 -0.463422D+01  0.186824D+01
      3   0.151910D+01 -0.273349D-01  0.134959D+02 -0.556165D+01  0.123101D+01
               251           252           253           254           255 
      1   0.308698D+01 -0.565642D+00  0.387626D+01  0.359182D+01 -0.366799D+01
      2  -0.379113D+01  0.578111D+01 -0.444909D+01  0.987290D+00  0.178848D+02
      3  -0.648542D+01  0.403929D+01 -0.442593D+01 -0.688214D+01 -0.605617D+01
               256           257           258           259           260 
      1   0.391539D+01 -0.985217D+01  0.360594D+01 -0.995994D+00  0.959428D+01
      2   0.189043D+01  0.876190D+01  0.624804D+01  0.137413D+02  0.328951D+01
      3  -0.662946D+01  0.666023D+01 -0.126383D+02 -0.711580D+01 -0.114327D+02
               261           262           263           264           265 
      1   0.574851D+01 -0.253243D+01 -0.407269D+00  0.288272D+01 -0.180617D+00
      2  -0.705680D+01 -0.747445D+01  0.321509D+01  0.926065D+01 -0.140006D+01
      3  -0.205298D+01  0.829488D+00 -0.350919D+01 -0.264166D+00 -0.121129D+01
               266           267           268           269           270 
      1  -0.623074D+00  0.133422D-01  0.380728D+01  0.373423D+00 -0.491270D+01
      2  -0.135595D+01  0.143234D+01  0.106255D+02 -0.447150D+01 -0.176568D+02
      3   0.151524D+01  0.154706D+01 -0.372389D+00  0.478805D+01  0.148025D+01
               271           272           273           274           275 
      1   0.272626D+01 -0.184615D+01  0.108861D+01 -0.993346D+00  0.136841D+02
      2   0.892907D-01 -0.121328D+01 -0.855444D+00 -0.147677D+01 -0.137510D+01
      3  -0.372666D+01  0.283835D+01 -0.712353D+00  0.391347D+01 -0.174834D+02
               276           277           278           279           280 
      1  -0.568161D+01  0.108236D+01 -0.409466D+01  0.520788D+01 -0.131112D+01
      2   0.291139D+01 -0.162901D+01  0.132323D+01 -0.296849D+01 -0.580534D+01
      3   0.250593D+01 -0.246717D+01  0.605177D+01 -0.218617D+01  0.530962D+01
               281           282           283           284           285 
      1   0.312203D+01 -0.168472D+01  0.220276D+01  0.136369D+01 -0.377983D+00
      2   0.691244D+00  0.396631D+01 -0.152763D+00 -0.113450D+01 -0.522635D+00
      3  -0.538074D+01  0.843649D+00 -0.209324D+01 -0.128694D+01 -0.419629D+00
               286           287           288           289           290 
      1  -0.191831D+01  0.923968D+00 -0.203828D+01 -0.274763D+01 -0.293530D+01
      2   0.746182D+00  0.407429D+00  0.427044D+01  0.130233D+02 -0.133565D+01
      3   0.207672D+01 -0.112492D+01  0.925591D+00 -0.360379D+01  0.171437D+01
               291           292           293           294           295 
      1   0.300012D+01 -0.207968D+01 -0.537240D+00  0.551907D+00  0.228484D+01
      2  -0.131126D+02  0.108954D+01  0.269257D+01 -0.168517D+01 -0.113109D+02
      3   0.412127D+01  0.242145D+01 -0.107754D+01 -0.102143D+01  0.308492D+01
               296           297 
      1   0.241714D+01 -0.614122D+01
      2   0.170837D+01  0.210148D+02
      3  -0.108049D+01 -0.450837D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.670063D+00  0.156787D+02 -0.572093D+01 -0.238138D+02  0.159746D+02
      2   0.548400D+01 -0.140495D+02  0.786756D+01  0.157307D+02 -0.536697D+01
      3  -0.481394D+01 -0.162913D+01 -0.214663D+01  0.808311D+01 -0.106076D+02
      4   0.131085D+02  0.485612D+01  0.612388D+01  0.157430D+02  0.478232D+00
      5  -0.886702D+01  0.790391D+01 -0.624397D+01 -0.624842D+01 -0.265984D+01
      6   0.902058D+01  0.256050D+01  0.835639D-02 -0.480598D+01  0.961689D+01
                 6             7             8             9            10 
      1  -0.131444D+02  0.890230D+01  0.290160D+01 -0.971157D+01  0.516159D+02
      2   0.696264D+01 -0.759079D+01  0.230189D+01 -0.932954D+01 -0.271916D+02
      3   0.618174D+01 -0.131151D+01 -0.520349D+01  0.190411D+02 -0.244243D+02
      4  -0.296685D+01  0.876081D+01 -0.725866D+01  0.325529D+01 -0.411910D+01
      5  -0.208692D+01  0.342642D+01  0.312141D+01 -0.162728D+01  0.533138D+01
      6  -0.632485D+01  0.602076D+01 -0.102949D+01  0.429546D+01  0.752850D+00
                11            12            13            14            15 
      1  -0.326965D+01  0.505019D+01 -0.129737D+02 -0.179381D+02  0.732337D+01
      2   0.619449D+01 -0.499755D+01  0.354288D+01  0.135119D+02 -0.115529D+02
      3  -0.292484D+01 -0.526436D-01  0.943077D+01  0.442625D+01  0.422949D+01
      4   0.705617D+01 -0.401350D+01 -0.127152D+02  0.212619D+01  0.386830D-02
      5  -0.341828D+01  0.214113D+01  0.133250D+02 -0.147417D+01  0.196745D+01
      6   0.140178D+01 -0.647647D+00 -0.241754D+01 -0.507023D+01  0.558320D+01
                16            17            18            19            20 
      1   0.166821D+01  0.891585D+01 -0.756218D+01  0.438368D+00 -0.156883D+02
      2  -0.321628D+01 -0.411279D+01 -0.789283D+00 -0.882057D+01  0.738049D+01
      3   0.154807D+01 -0.480305D+01  0.835146D+01  0.838220D+01  0.830781D+01
      4   0.154814D+02  0.272686D+01  0.150205D+00 -0.161280D+02 -0.709782D+01
      5   0.790338D+01  0.730112D+00  0.379405D+01  0.344909D+01 -0.362360D+01
      6   0.947961D+01  0.111311D+02  0.521733D+01 -0.573028D+01 -0.590558D+01
                21            22            23            24            25 
      1   0.128783D+02  0.171828D+02  0.298654D+01 -0.337572D+01 -0.102525D+02
      2  -0.286554D+01 -0.116944D+02 -0.299976D+01  0.379707D+01  0.110232D+02
      3  -0.100127D+02 -0.548846D+01  0.132188D-01 -0.421351D+00 -0.770664D+00
      4  -0.162186D+01  0.697106D+01 -0.514262D+01  0.603054D+01 -0.926111D+01
      5   0.708398D+01  0.280946D+01  0.740281D+01 -0.235800D+01  0.832560D+01
      6   0.124477D+01  0.124753D+02  0.857226D+01  0.444277D+01 -0.769998D+01
                26            27            28            29            30 
      1  -0.149948D+02  0.449983D+00  0.556891D+01  0.217097D+01  0.145454D+01
      2   0.151340D+02 -0.554630D+01 -0.600454D+01 -0.326046D+01 -0.201770D+01
      3  -0.139173D+00  0.509632D+01  0.435625D+00  0.108948D+01  0.563163D+00
      4  -0.101932D+01 -0.340441D+01 -0.199793D+01  0.580290D+01 -0.105499D+01
      5  -0.222704D+01 -0.487172D+01  0.348314D+01 -0.896487D+00  0.387236D+01
      6  -0.313496D+00  0.294995D+00  0.643709D+01  0.159188D+01 -0.180173D+01
                31            32            33            34            35 
      1  -0.869852D+01 -0.184995D+02  0.591486D+01 -0.756056D+01  0.898274D+01
      2  -0.128951D+01  0.114440D+02 -0.125648D+02  0.190400D+01 -0.695543D+01
      3   0.998803D+01  0.705545D+01  0.664998D+01  0.565656D+01 -0.202731D+01
      4  -0.127696D+02 -0.245048D+01  0.583872D-01  0.165694D+02  0.409491D+01
      5   0.132645D+02  0.200848D+00  0.624856D+01  0.121136D+02  0.259140D+01
      6  -0.689583D+01 -0.711085D+01  0.425857D+01  0.400815D+01  0.987857D+01
                36            37            38            39            40 
      1  -0.392331D+01  0.976780D+01  0.215911D+02 -0.296925D+01 -0.135447D+02
      2   0.816410D-01  0.175336D+01 -0.202230D+02  0.591126D+01  0.127602D+02
      3   0.384167D+01 -0.115212D+02 -0.136809D+01 -0.294201D+01  0.784495D+00
      4   0.199094D+01  0.981282D+01 -0.735919D+00  0.611143D+01  0.111495D+02
      5  -0.113064D+01 -0.835508D+01  0.865245D+01 -0.658983D+01 -0.116571D+01
      6   0.300259D+01  0.641395D+01 -0.174587D+01 -0.487582D+00 -0.767112D+01
                41            42            43            44            45 
      1   0.869913D+01 -0.116025D+02  0.749769D+01 -0.258539D+01 -0.770290D+01
      2   0.855586D+00  0.102815D+02 -0.993589D+01  0.693321D+01 -0.623942D+01
      3  -0.955472D+01  0.132101D+01  0.243820D+01 -0.434782D+01  0.139423D+02
      4   0.177219D+01 -0.448923D+01  0.444769D+01 -0.110206D+02  0.411363D+01
      5  -0.388816D+01 -0.382698D+01  0.745166D+01  0.359478D+01 -0.187666D+01
      6   0.128986D+02 -0.676113D+01  0.505803D+01  0.101074D+01 -0.335718D+00
                46            47            48            49            50 
      1  -0.361776D+01 -0.165612D+02  0.787005D+01  0.239555D+02 -0.333511D+01
      2  -0.623813D+01  0.839976D+01 -0.440646D+01 -0.185397D+02  0.181946D+01
      3   0.985589D+01  0.816143D+01 -0.346359D+01 -0.541577D+01  0.151565D+01
      4  -0.123672D+02 -0.957549D+01 -0.116907D+01  0.146626D+01 -0.640627D+01
      5  -0.101702D+01 -0.370748D+01  0.856252D+01  0.673672D+01  0.629533D+01
      6  -0.420949D+01 -0.809186D+01  0.440231D+01  0.110992D+02  0.121778D+02
                51            52            53            54            55 
      1  -0.301103D+01 -0.259371D+02 -0.213870D+02  0.114674D+01 -0.459025D+02
      2   0.450288D+01  0.159906D+02  0.230043D+02 -0.286106D+01  0.193660D+02
      3  -0.149185D+01  0.994652D+01 -0.161737D+01  0.171432D+01  0.265365D+02
      4   0.616967D+01 -0.892958D+01  0.202732D+01  0.251724D+00  0.117550D+02
      5  -0.492967D+00  0.103370D+02 -0.173160D+01 -0.314869D+01  0.176664D+02
      6   0.584252D+01 -0.369210D+01  0.512536D+01  0.685564D+00  0.175076D+01
                56            57            58            59            60 
      1   0.109741D+02  0.141137D+02  0.237452D+02 -0.410517D+01 -0.991380D+01
      2  -0.580530D+01 -0.631707D+01 -0.182960D+02 -0.355126D+01 -0.612723D+01
      3  -0.516880D+01 -0.779659D+01 -0.544920D+01  0.765643D+01  0.160410D+02
      4  -0.152142D+02 -0.648674D+01 -0.257774D+02 -0.370465D+02 -0.159228D+02
      5  -0.692334D+01 -0.963759D+01 -0.990475D+01 -0.152237D+02  0.174126D+02
      6  -0.388516D+01 -0.174639D+01 -0.108961D+02 -0.141471D+02 -0.638364D+01
                61            62            63            64            65 
      1   0.388433D+02 -0.111313D+02  0.267283D+01 -0.417145D+02 -0.231215D+02
      2  -0.115527D+02 -0.220018D+01  0.147494D+02  0.253966D+02  0.996083D+01
      3  -0.272906D+02  0.133315D+02 -0.174223D+02  0.163179D+02  0.131606D+02
      4  -0.103091D+02 -0.699226D+01  0.143899D+02 -0.243006D+02  0.107485D+02
      5  -0.208716D+02  0.143426D+02 -0.308428D+02 -0.572818D+02  0.503791D+01
      6  -0.222724D+01 -0.329949D+01  0.478940D+01  0.315134D+00  0.424592D+00
                66            67            68            69            70 
      1  -0.529502D+02 -0.424162D+02  0.997376D+01  0.515223D+01 -0.854295D+02
      2   0.259855D+02  0.250092D+02 -0.102844D+02 -0.424573D+01  0.414600D+02
      3   0.269647D+02  0.174070D+02  0.310686D+00 -0.906496D+00  0.439695D+02
      4   0.601985D+01  0.856937D+01  0.371095D+02  0.548868D+01  0.132510D+02
      5  -0.585283D+01  0.845158D+01  0.399922D+01 -0.263257D+02 -0.769716D+01
      6   0.992879D+00  0.165889D+01 -0.182001D+00  0.160279D+00 -0.239511D+01
                71            72            73            74            75 
      1   0.912803D+01 -0.138291D+02  0.804377D+01  0.262706D+02  0.366542D+02
      2  -0.574897D+01  0.981517D+01 -0.121296D+02 -0.885224D+01 -0.162490D+02
      3  -0.337906D+01  0.401393D+01  0.408578D+01 -0.174184D+02 -0.204052D+02
      4   0.911260D+01 -0.279202D+02  0.259154D+02 -0.249954D+02 -0.218406D+02
      5  -0.282425D+02  0.102940D+02  0.368790D+02 -0.133644D+02 -0.498501D+01
      6   0.118643D+01  0.161951D+01 -0.179022D+02  0.457788D+01  0.102935D+00
                76            77            78            79            80 
      1   0.297801D+02 -0.151828D+02 -0.115274D+02  0.472599D+02 -0.191676D+02
      2  -0.130971D+02  0.182261D+02  0.740513D+01 -0.204997D+02  0.109643D+02
      3  -0.166830D+02 -0.304328D+01  0.412225D+01 -0.267603D+02  0.820333D+01
      4  -0.179357D+02 -0.164080D+02 -0.448608D+01 -0.270041D+02 -0.543940D+01
      5  -0.941260D+01 -0.462877D+01  0.277860D+02 -0.102030D+02  0.348656D+02
      6   0.342699D+01  0.518194D+01 -0.142559D+02  0.465350D+01 -0.169427D+02
                81            82            83            84            85 
      1   0.549168D+01  0.433946D+01  0.167089D+02  0.484773D+02  0.256929D+02
      2  -0.104656D+02  0.132485D+02 -0.123070D+02 -0.251790D+02 -0.211211D+02
      3   0.497391D+01 -0.175879D+02 -0.440190D+01 -0.232983D+02 -0.457185D+01
      4   0.353541D+02  0.181697D+02 -0.103623D+02 -0.526366D+01 -0.144948D+02
      5  -0.204651D+02  0.446269D+02 -0.108927D+02 -0.212306D+02 -0.213358D+02
      6   0.114399D+02 -0.307782D+01  0.239985D+01  0.303617D+01  0.314773D+01
                86            87            88            89            90 
      1  -0.995465D+01 -0.121450D+02  0.566261D+02 -0.752932D+01 -0.725098D+01
      2  -0.983210D+01  0.126678D+02 -0.303764D+02  0.928486D+01  0.497689D+01
      3   0.197867D+02 -0.522840D+00 -0.262497D+02 -0.175554D+01  0.227408D+01
      4  -0.560956D+02 -0.311832D+01 -0.944877D+01 -0.105487D+02  0.240189D+02
      5   0.555622D+00  0.268320D+02 -0.179622D+02  0.249440D+02 -0.169679D+01
      6   0.101065D+02  0.293126D+01  0.480944D+01  0.354797D+01 -0.839383D+01
                91            92            93            94            95 
      1   0.812913D+01  0.801691D+01  0.151672D+02  0.498658D+01  0.455932D+01
      2  -0.667541D+01 -0.397577D+01 -0.448887D+01  0.100252D+01  0.288276D+01
      3  -0.145372D+01 -0.404114D+01 -0.106783D+02 -0.598910D+01 -0.744208D+01
      4   0.750772D+01 -0.448893D+01  0.313186D+00 -0.129501D+02  0.134488D+02
      5   0.120414D+02  0.263279D+00 -0.672792D+01 -0.845949D+01 -0.254161D+02
      6   0.142545D+01 -0.464993D+01 -0.393434D+00 -0.125973D+02  0.500410D+01
                96            97            98            99           100 
      1   0.335278D+01  0.313173D+02  0.110885D+01 -0.103997D+02 -0.780100D+01
      2   0.302415D+01 -0.123546D+02 -0.264002D+00  0.557250D+01  0.170152D+01
      3  -0.637693D+01 -0.189627D+02 -0.844846D+00  0.482717D+01  0.609948D+01
      4  -0.246785D+02 -0.810043D+01 -0.203718D+02 -0.122401D+01 -0.145636D+02
      5  -0.837768D+01 -0.298405D+02 -0.845117D+00 -0.403527D+01  0.470989D+01
      6  -0.158247D+02 -0.358303D+01 -0.115976D+02 -0.395736D+01  0.118945D+01
               101           102           103           104           105 
      1  -0.100823D+02 -0.444097D+01 -0.255673D+02 -0.129496D+02  0.909091D+01
      2   0.501253D+01  0.364228D-02  0.156747D+02  0.651426D+00 -0.940982D+01
      3   0.506974D+01  0.443733D+01  0.989260D+01  0.122981D+02  0.318906D+00
      4  -0.158488D+02  0.218354D+01 -0.288385D+02 -0.221718D+02  0.170005D+02
      5   0.258005D+01  0.523171D+01  0.156617D+02  0.169755D+02 -0.141796D+02
      6   0.781751D+01 -0.992149D+00  0.866969D+01  0.385740D+01 -0.110435D+02
               106           107           108           109           110 
      1   0.938661D+01  0.544191D+01  0.130532D+02  0.464844D+02  0.251602D+02
      2  -0.140174D+01 -0.288242D+01 -0.713159D+01 -0.212156D+02 -0.956538D+01
      3  -0.798487D+01 -0.255949D+01 -0.592163D+01 -0.252688D+02 -0.155948D+02
      4   0.652071D+01  0.287166D+02 -0.571680D+01  0.345662D+02  0.299611D+02
      5   0.106179D+02 -0.528338D+01 -0.934417D+00 -0.176444D+02 -0.657086D+01
      6  -0.145845D+00 -0.563108D+01  0.554700D+00 -0.661964D+01 -0.595828D+01
               111           112           113           114           115 
      1  -0.109925D+02  0.448569D+02  0.116731D+02 -0.586663D+01 -0.186029D+02
      2   0.656050D+01 -0.188340D+02  0.662216D+01  0.409201D+01  0.122319D+02
      3   0.443204D+01 -0.260230D+02 -0.182953D+02  0.177462D+01  0.637095D+01
      4  -0.450600D+01  0.398841D+02  0.689915D+02 -0.134992D+02 -0.106228D+02
      5   0.133775D+02 -0.187451D+02 -0.136045D+02  0.258380D+02  0.224154D+02
      6   0.372753D+01 -0.634095D+01 -0.170555D+02  0.142381D+02  0.371749D+01
               116           117           118           119           120 
      1  -0.161252D+01  0.249797D+01  0.135142D+01 -0.123834D+02  0.111886D+02
      2   0.124562D+01 -0.794507D+01  0.727799D+01  0.266561D+01 -0.104715D+02
      3   0.366907D+00  0.544709D+01 -0.862942D+01  0.971778D+01 -0.717167D+00
      4  -0.225067D+02  0.194747D+02 -0.102483D+02  0.943290D+01 -0.603635D+01
      5   0.188931D+02 -0.225803D+02  0.176970D+02 -0.290106D+01 -0.172075D+02
      6   0.145421D+02 -0.958656D+01 -0.204901D+01  0.150573D+00  0.279927D+01
               121           122           123           124           125 
      1  -0.229681D+02  0.226812D+01 -0.315172D+01  0.208141D+02 -0.996032D+01
      2   0.685771D+01  0.132622D+02  0.161001D+01 -0.168622D+02  0.464450D+01
      3   0.161103D+02 -0.155303D+02  0.154171D+01 -0.395193D+01  0.531582D+01
      4   0.284723D+02 -0.430351D+02 -0.121872D+02 -0.692692D+01 -0.102406D+01
      5   0.816440D+01 -0.970613D+01 -0.121125D+02 -0.207806D+02 -0.298252D+01
      6  -0.523052D+01  0.117910D+02  0.122683D+02  0.366519D+01  0.738710D+01
               126           127           128           129           130 
      1  -0.233928D+02  0.885196D+00  0.784466D+00 -0.259391D+01  0.293639D+01
      2   0.154724D+02 -0.117492D+01 -0.328661D-02 -0.146791D+01 -0.246560D+01
      3   0.792047D+01  0.289723D+00 -0.781180D+00  0.406182D+01 -0.470797D+00
      4  -0.196215D+01 -0.692865D+01  0.671415D+01 -0.431418D+01  0.787179D+01
      5   0.241489D+02  0.430053D+01 -0.407338D+01  0.514404D+01 -0.412482D+01
      6   0.129618D+01 -0.456845D+01  0.456962D+01 -0.393871D+01  0.606932D+01
               131           132           133           134           135 
      1  -0.152720D+02  0.123030D+02 -0.109938D+01  0.917406D+01 -0.111131D+02
      2   0.115764D+02 -0.368313D+01 -0.794317D+00 -0.434141D+01  0.788834D+00
      3   0.369563D+01 -0.861989D+01  0.189370D+01 -0.483265D+01  0.103243D+02
      4  -0.112117D+02  0.641974D+01 -0.630796D+01  0.834359D+01 -0.675213D+01
      5   0.471492D+01 -0.433366D+01  0.530757D+01 -0.471064D+01  0.708906D+01
      6  -0.165362D+02  0.135961D+02 -0.532682D+01  0.121034D+02 -0.125662D+02
               136           137           138           139           140 
      1   0.478698D+01 -0.170549D+01  0.751573D-01 -0.367569D+01 -0.120233D+02
      2   0.734657D+00  0.497916D+01 -0.226859D+00  0.632070D+01  0.170808D+02
      3  -0.552164D+01 -0.327367D+01  0.151702D+00 -0.264501D+01 -0.505753D+01
      4   0.898122D+01  0.800511D+01 -0.199950D+01  0.100679D+02  0.128977D+02
      5  -0.623742D+01 -0.344505D+01  0.327723D+01 -0.551902D+01 -0.691900D+01
      6  -0.217981D+01 -0.217110D+01  0.231107D+01 -0.467230D+01 -0.870151D+01
               141           142           143           144           145 
      1   0.455254D+01  0.122544D+01  0.522539D+01 -0.343579D+01 -0.283913D+01
      2  -0.327071D+01 -0.171432D+01 -0.537605D+01  0.223337D+01  0.355042D+01
      3  -0.128183D+01  0.488878D+00  0.150667D+00  0.120242D+01 -0.711285D+00
      4  -0.334012D+01 -0.307841D+01 -0.286662D+01  0.267453D+01 -0.795316D+01
      5   0.518258D+01  0.268315D+01  0.308063D+01 -0.289100D+01  0.451107D+01
      6   0.617077D+01  0.257390D+01  0.507911D+01 -0.399670D+01 -0.612931D+01
               146           147           148           149           150 
      1   0.447951D+01 -0.388377D+01  0.633862D+01 -0.230474D+02  0.142777D+02
      2  -0.510382D+01  0.182509D+01 -0.735804D+01  0.262412D+02 -0.109303D+02
      3   0.624312D+00  0.205868D+01  0.101942D+01 -0.319379D+01 -0.334742D+01
      4   0.910649D+01 -0.570433D+01  0.875146D+01 -0.128266D+02  0.657741D+01
      5  -0.392507D+01  0.459789D+01 -0.377908D+01  0.340857D+01 -0.332030D+01
      6   0.618777D+01 -0.562861D+01  0.701772D+01 -0.196634D+02  0.151468D+02
               151           152           153           154           155 
      1  -0.477452D+01  0.141936D+02 -0.119986D+02  0.310673D+01 -0.336200D+01
      2   0.453073D+01 -0.132143D+02  0.692697D+01  0.630534D+01  0.120909D+02
      3   0.243783D+00 -0.979305D+00  0.507167D+01 -0.941208D+01 -0.872890D+01
      4  -0.648226D+01  0.897691D+01 -0.658902D+01  0.152463D+02  0.153513D+02
      5   0.381918D+01 -0.341206D+01  0.466133D+01 -0.577438D+01 -0.378900D+01
      6  -0.578048D+01  0.138478D+02 -0.132180D+02 -0.176969D+01 -0.963230D+00
               156           157           158           159           160 
      1  -0.112555D+01 -0.250606D+01 -0.167242D+02  0.356134D+01  0.312049D+01
      2  -0.622523D+00  0.120218D+02  0.319490D+02 -0.530213D+01 -0.375114D+01
      3   0.174808D+01 -0.951574D+01 -0.152248D+02  0.174080D+01  0.630659D+00
      4  -0.304929D+01  0.168272D+02  0.239561D+02 -0.528471D+01 -0.329463D+01
      5   0.345760D+01 -0.608656D+01 -0.738791D+01  0.510888D+01  0.263575D+01
      6   0.286630D+01 -0.405011D+01 -0.751611D+01  0.630165D+01  0.294893D+01
               161           162           163           164           165 
      1   0.682079D+01 -0.280738D+01  0.124830D+02  0.772803D+01  0.155480D+00
      2  -0.980441D+01  0.339891D+01 -0.244029D+01 -0.231982D+01 -0.534236D+00
      3   0.298362D+01 -0.591536D+00 -0.100427D+02 -0.540821D+01  0.378756D+00
      4  -0.479002D+01  0.391591D+01  0.157463D+02  0.170130D+02  0.664438D+01
      5   0.390914D+01 -0.236977D+01  0.447785D+01  0.773594D+01  0.800554D+01
      6   0.524039D+01 -0.350142D+01  0.560260D+01  0.482113D+01  0.276663D+01
               166           167           168           169           170 
      1   0.121812D+02 -0.731157D+01 -0.285496D+01 -0.726320D+01 -0.126894D+01
      2  -0.144425D+01  0.176984D+02  0.318185D+01  0.254141D+01  0.244206D+00
      3  -0.107370D+02 -0.103868D+02 -0.326895D+00  0.472179D+01  0.102474D+01
      4   0.246659D+02  0.498055D+02  0.178648D+02  0.549448D+01  0.760724D+01
      5   0.120990D+02  0.174467D+02  0.117902D+02  0.759455D+01  0.823764D+01
      6   0.945273D+01  0.225734D+02  0.128033D+02  0.348253D+01  0.889049D+01
               171           172           173           174           175 
      1  -0.227293D+01  0.433465D+01 -0.394494D+01  0.629511D+01 -0.119022D+02
      2  -0.591685D+00 -0.718588D+01  0.267625D+01 -0.549841D+01  0.945133D+01
      3   0.286462D+01  0.285124D+01  0.126869D+01 -0.796697D+00  0.245084D+01
      4   0.875656D+01 -0.521690D+01  0.458694D+01 -0.553625D+00  0.660184D+01
      5   0.103258D+02  0.991333D+01 -0.165885D+01  0.134608D+02 -0.695384D+01
      6   0.606625D+01 -0.226249D+01  0.995700D+00 -0.326418D-01  0.277016D+01
               176           177           178           179           180 
      1  -0.150363D+01  0.528694D+01  0.423810D+01  0.250039D+01 -0.173852D+02
      2  -0.202983D+01  0.630589D+01 -0.104802D+02  0.331730D+01 -0.231548D+02
      3   0.353346D+01 -0.115928D+02  0.624213D+01 -0.581769D+01  0.405401D+02
      4  -0.358116D+01  0.971978D+01 -0.148161D+01  0.710943D+01 -0.780094D+01
      5   0.996312D+01 -0.172161D+02  0.212161D+02 -0.779846D+01  0.526585D+02
      6  -0.316000D+01  0.705429D+01 -0.894043D+00  0.580021D+01 -0.225686D+01
               181           182           183           184           185 
      1   0.117859D+03  0.116868D+02  0.370099D+02  0.159750D+02  0.142273D+02
      2  -0.630438D+02 -0.706999D+01 -0.207391D+02 -0.838430D+01 -0.583270D+01
      3  -0.548149D+02 -0.461679D+01 -0.162708D+02 -0.759072D+01 -0.839459D+01
      4   0.105109D+02  0.133031D+02  0.155280D+01  0.196163D+02  0.892131D+00
      5   0.429980D+02  0.228804D+01  0.259880D+02  0.236328D+01  0.708331D+01
      6   0.125007D+01  0.125850D+01  0.912229D+00  0.295487D+01  0.113409D+01
               186           187           188           189           190 
      1   0.252499D+01  0.435912D+02  0.162014D+01  0.258795D+02 -0.300138D+00
      2  -0.125277D+01 -0.258638D+02 -0.144072D+01 -0.182198D+02  0.173656D+01
      3  -0.127222D+01 -0.177274D+02 -0.179418D+00 -0.765967D+01 -0.143642D+01
      4   0.691441D+01  0.458721D+00  0.534951D+01  0.594841D+01 -0.934442D+01
      5   0.662614D+01  0.329416D+02  0.666068D+01  0.241953D+02  0.532581D+01
      6   0.292322D+01  0.819462D+00  0.215383D+01  0.810746D+00 -0.292591D+01
               191           192           193           194           195 
      1  -0.960281D+01  0.552854D+01 -0.641141D+01 -0.803108D+01  0.778962D+01
      2   0.445735D+01 -0.328151D+01  0.131369D+01  0.148295D+02 -0.104136D+02
      3   0.514546D+01 -0.224704D+01  0.509772D+01 -0.679837D+01  0.262395D+01
      4   0.779716D+01 -0.284372D+01  0.998002D+01 -0.241547D+02  0.175556D+02
      5  -0.162236D+01  0.538084D+01 -0.294504D+01  0.178834D+02 -0.181174D+02
      6  -0.235265D-01 -0.505164D+00  0.157253D+01 -0.139045D+02  0.147950D+02
               196           197           198           199           200 
      1   0.722046D+01  0.928773D+01 -0.110696D+02 -0.398931D+02 -0.118097D+02
      2  -0.258677D+01 -0.129463D+02  0.549112D+01  0.217434D+02  0.116257D+02
      3  -0.463369D+01  0.365859D+01  0.557852D+01  0.181497D+02  0.183944D+00
      4  -0.827839D+01  0.272786D+02 -0.252325D+02  0.107611D+02 -0.722223D+01
      5   0.808378D+01 -0.251866D+02  0.416910D+02 -0.780984D+01 -0.120335D+01
      6  -0.319987D+01  0.176981D+02 -0.251734D+02  0.765743D+01  0.322737D+01
               201           202           203           204           205 
      1  -0.154977D+02 -0.763367D+01 -0.102493D+02 -0.288415D+01 -0.170149D+02
      2   0.761704D+01  0.696501D+01  0.869437D+01  0.336718D+01  0.797544D+01
      3   0.788070D+01  0.668658D+00  0.155498D+01 -0.483027D+00  0.903942D+01
      4   0.344972D+01  0.463475D-01 -0.167424D+01 -0.727390D+00  0.530050D+01
      5  -0.640630D+01 -0.436655D-01 -0.191102D+01 -0.429250D+01 -0.307386D+01
      6   0.648197D+01  0.239731D+01  0.260599D+01  0.502669D+01  0.451829D+01
               206           207           208           209           210 
      1  -0.535484D+01 -0.136024D+02  0.541583D+02 -0.242409D+02 -0.201492D+02
      2   0.525964D+01  0.678045D+01 -0.194292D+02  0.268892D+01  0.884537D+01
      3   0.952032D-01  0.682192D+01 -0.347290D+02  0.215519D+02  0.113038D+02
      4  -0.484198D+01 -0.382814D+01 -0.470254D+02  0.374867D+02  0.174224D+02
      5  -0.723817D+01 -0.604762D+01 -0.266007D+02  0.129391D+02  0.189215D+02
      6   0.656543D+01  0.530518D+01  0.113804D+02 -0.687960D+01 -0.810891D+01
               211           212           213           214           215 
      1  -0.176289D+02  0.147313D+02  0.527730D+01 -0.253000D+02  0.977637D+01
      2   0.968970D-01  0.268898D+01  0.923390D+00  0.103894D+02  0.261537D+00
      3   0.175320D+02 -0.174203D+02 -0.620069D+01  0.149106D+02 -0.100379D+02
      4   0.325750D+02 -0.307906D+02 -0.130948D+02  0.249914D+02 -0.216859D+02
      5   0.109233D+02 -0.117098D+02 -0.107483D+02  0.241843D+02 -0.182294D+02
      6  -0.675978D+01  0.758263D+01  0.786990D+01 -0.105605D+02  0.108697D+02
               216           217           218           219           220 
      1   0.127374D+02 -0.438524D+02 -0.297790D+01 -0.201563D+02 -0.472339D+01
      2  -0.524263D+01  0.157177D+02  0.135738D+01  0.216982D+01  0.267400D+01
      3  -0.749481D+01  0.281347D+02  0.162052D+01  0.179865D+02  0.204939D+01
      4  -0.212012D+02 -0.750822D+01 -0.508290D+01  0.637669D+00 -0.915579D+00
      5  -0.203584D+02  0.251344D+01  0.289961D+01 -0.947482D+01  0.172027D+01
      6   0.958327D+01  0.777591D+00  0.336827D+01 -0.167173D+01  0.202131D+01
               221           222           223           224           225 
      1  -0.574921D+01 -0.133205D+01 -0.189538D+02  0.552240D+00 -0.190553D+02
      2   0.393316D+01 -0.148189D+01  0.420736D+01 -0.146017D+01 -0.115794D+01
      3   0.181605D+01  0.281394D+01  0.147465D+02  0.907926D+00  0.202132D+02
      4   0.423960D+01 -0.272521D+01 -0.100121D+01 -0.269576D+01 -0.289443D+01
      5  -0.183685D+01 -0.531938D+01 -0.654392D+00 -0.126543D+01 -0.124369D+02
      6  -0.599181D+00  0.303055D+01 -0.129042D+01  0.261863D+01 -0.109036D+01
               226           227           228           229           230 
      1   0.894849D+01  0.117726D+02 -0.579736D+01  0.146113D+02  0.200632D+01
      2  -0.261085D+01 -0.268245D+01  0.344879D+01 -0.246617D+01  0.216127D+02
      3  -0.633765D+01 -0.909015D+01  0.234857D+01 -0.121451D+02 -0.236191D+02
      4   0.147198D+02  0.174681D+02 -0.113196D+01  0.249875D+02  0.757350D+02
      5  -0.724453D+01 -0.248686D+01  0.596998D+01 -0.667738D+01 -0.958363D+01
      6  -0.236297D+01 -0.265688D+01  0.929162D+00 -0.530531D+01 -0.186207D+02
               231           232           233           234           235 
      1   0.647222D+00 -0.123596D+01  0.268020D+01  0.237500D+00  0.659677D+02
      2   0.118918D+01  0.155648D+01  0.891783D+00  0.113787D+01 -0.444887D+02
      3  -0.183640D+01 -0.320520D+00 -0.357198D+01 -0.137537D+01 -0.214790D+02
      4  -0.776149D+01  0.118350D+01  0.354241D+01  0.677004D+01 -0.710639D+01
      5   0.109341D+02  0.486411D+01  0.646981D+01  0.221156D+00 -0.538966D+02
      6   0.736153D+01  0.108422D+01  0.569905D+01 -0.106698D+01  0.237890D+01
               236           237           238           239           240 
      1  -0.960465D+01 -0.347353D+02 -0.209490D+02  0.110621D+02  0.945210D+01
      2   0.678962D+01  0.272581D+02  0.144929D+02 -0.573044D+01 -0.966865D+01
      3   0.281503D+01  0.747720D+01  0.645618D+01 -0.533170D+01  0.216549D+00
      4   0.133169D+02  0.280123D+01  0.149348D+02 -0.520711D+01 -0.841738D+01
      5   0.664371D+01  0.400600D+02  0.181939D+02 -0.106292D+02 -0.187979D+02
      6  -0.486629D+01 -0.935641D+00 -0.568338D+01  0.308759D+01  0.436897D+01
               241           242           243           244           245 
      1  -0.325629D+02  0.334249D+01  0.227209D+02  0.206532D+01 -0.729594D+01
      2   0.276708D+02 -0.432454D+01 -0.262564D+02 -0.544099D+00  0.355974D+01
      3   0.489212D+01  0.982046D+00  0.353549D+01 -0.152122D+01  0.373620D+01
      4   0.349782D+01 -0.581879D+01 -0.621185D+01 -0.117801D+02  0.909771D+01
      5   0.434175D+02 -0.845412D+01 -0.439167D+02  0.568407D+01 -0.492736D+01
      6  -0.153121D+01  0.368791D+01  0.187554D+01 -0.640649D+01  0.304573D+01
               246           247           248           249           250 
      1   0.109707D+01 -0.940056D+01 -0.443278D+01  0.400823D+01 -0.210038D+00
      2  -0.127791D+01  0.374023D+01  0.682518D+01 -0.900943D+00 -0.183909D+01
      3   0.180836D+00  0.566033D+01 -0.239240D+01 -0.310728D+01  0.204912D+01
      4  -0.444869D+01  0.131834D+02 -0.289320D+02  0.128505D+02 -0.551557D+01
      5   0.746657D+01 -0.645448D+01  0.131751D+02 -0.124031D+02  0.112847D+02
      6  -0.185459D+01  0.510211D+01 -0.158605D+02  0.992262D+01 -0.349366D+01
               251           252           253           254           255 
      1   0.230372D+01 -0.289344D+01 -0.300904D+02 -0.104126D+02 -0.427210D+02
      2   0.976870D+00 -0.351387D+01  0.341816D+02  0.100114D+02  0.127348D+02
      3  -0.328059D+01  0.640730D+01 -0.409119D+01  0.401227D+00  0.299862D+02
      4   0.132168D+02 -0.101954D+02 -0.165979D+02  0.230621D+01 -0.126933D+02
      5  -0.974021D+01  0.151699D+02 -0.524224D+02 -0.830278D+01 -0.142777D+02
      6   0.101457D+02 -0.833327D+01 -0.110596D+02  0.120537D+01  0.270384D+00
               256           257           258           259           260 
      1  -0.263374D+01  0.304461D+01 -0.133806D+02 -0.369084D+02 -0.121729D+02
      2   0.352007D+01 -0.197435D+02  0.869217D+01  0.101796D+02  0.136546D+02
      3  -0.886329D+00  0.166989D+02  0.468839D+01  0.267288D+02 -0.148167D+01
      4   0.109558D+02 -0.704334D+01  0.180778D+02 -0.605087D+01  0.166390D+02
      5   0.196631D+01  0.220935D+02  0.100335D+02 -0.358184D+01  0.350359D+01
      6   0.892528D+01  0.333942D+01  0.163437D+02  0.511758D+01  0.121534D+02
               261           262           263           264           265 
      1   0.109554D+02  0.330593D+02 -0.791780D+01 -0.208312D+02  0.371894D+01
      2   0.452726D+01 -0.216545D+02  0.442442D+01  0.152374D+02 -0.463428D+01
      3  -0.154826D+02 -0.114048D+02  0.349338D+01  0.559378D+01  0.915340D+00
      4   0.883966D+01 -0.150357D+02  0.991058D+01  0.963355D+01  0.498288D+01
      5   0.235826D+01 -0.300495D+02  0.825104D+01  0.263741D+02 -0.442515D+01
      6   0.322794D+01  0.558625D+01 -0.281314D+01 -0.491564D+01 -0.162249D+01
               266           267           268           269           270 
      1   0.180603D+01 -0.381733D+01 -0.265511D+02  0.605051D+01  0.191277D+02
      2  -0.630960D+00  0.454590D+01  0.212614D+02 -0.425222D+01 -0.211868D+02
      3  -0.117507D+01 -0.728574D+00  0.528972D+01 -0.179829D+01  0.205913D+01
      4  -0.527743D+01 -0.377417D+01  0.140783D+02 -0.120622D+02 -0.143264D+02
      5  -0.408981D+01  0.411594D+01  0.371083D+02 -0.123206D+02 -0.435009D+02
      6   0.187064D+01  0.246730D+01 -0.676957D+01  0.516558D+01  0.913133D+01
               271           272           273           274           275 
      1   0.681217D+00  0.774773D+01  0.327319D+01  0.742551D+01 -0.170409D+02
      2   0.177755D+01 -0.690116D+01  0.207718D+00 -0.443689D+01  0.347146D+02
      3  -0.245877D+01 -0.846569D+00 -0.348090D+01 -0.298863D+01 -0.176738D+02
      4   0.445298D+01  0.871373D+00  0.815173D+00  0.584289D+01  0.282857D+02
      5   0.226434D+01  0.314035D+01  0.132985D+01  0.468852D+01 -0.575838D+01
      6   0.209741D+01 -0.189657D+01 -0.109329D+01  0.563022D+00  0.141445D+02
               276           277           278           279           280 
      1   0.183719D-01 -0.117150D+01  0.428833D+01 -0.210051D+01  0.660850D+02
      2  -0.627771D+01  0.205604D+01 -0.101844D+02  0.523175D+01 -0.463823D+02
      3   0.625934D+01 -0.884534D+00  0.589602D+01 -0.313124D+01 -0.197027D+02
      4  -0.243492D+01 -0.173482D+01 -0.975780D+01  0.154294D+01  0.264458D+02
      5   0.695061D+01 -0.107394D+01  0.286300D+01 -0.828590D+01  0.624074D+02
      6   0.360017D+01 -0.119842D+01 -0.139641D+01 -0.278461D+01  0.116006D+02
               281           282           283           284           285 
      1   0.660099D+01  0.221966D+02  0.886941D+00  0.603213D+01  0.169350D+01
      2  -0.351718D+01 -0.218784D+02  0.164025D+01 -0.141944D+01 -0.851365D-02
      3  -0.308381D+01 -0.318179D+00 -0.252719D+01 -0.461269D+01 -0.168498D+01
      4   0.146493D+02  0.130999D+02  0.127444D+02  0.643218D+01  0.483732D+01
      5   0.116012D+02  0.377765D+02  0.310048D+01  0.658142D+01  0.105784D+01
      6   0.853591D+01  0.889607D+01  0.691981D+01  0.306042D+01  0.377208D+01
               286           287           288           289           290 
      1   0.161957D+02  0.224065D+01  0.873377D+01 -0.149590D+02  0.480035D+01
      2  -0.182461D+02 -0.298086D+01 -0.165717D+02 -0.200511D+01 -0.273369D+01
      3   0.205044D+01  0.740216D+00  0.783790D+01  0.169641D+02 -0.206666D+01
      4   0.943276D+01  0.423045D+01  0.644969D+01 -0.333496D+01 -0.258465D+01
      5   0.328354D+02  0.593121D+01  0.272264D+02  0.614873D+00 -0.100726D+01
      6   0.673676D+01  0.384814D+01  0.678827D+01  0.361654D+01 -0.563293D+01
               291           292           293           294           295 
      1   0.263391D+02 -0.922671D+00 -0.678288D+01  0.164892D+01  0.177919D+02
      2   0.171744D+01 -0.562588D+00  0.247918D+01  0.280454D+01 -0.104186D+01
      3  -0.280565D+02  0.148526D+01  0.430371D+01 -0.445347D+01 -0.167501D+02
      4   0.311961D+01 -0.160405D+01 -0.571840D+00  0.103378D+01  0.436007D+01
      5  -0.207907D+01 -0.118743D+01 -0.135241D+01 -0.357538D+01  0.406190D+01
      6  -0.699418D+01 -0.360093D+01  0.719581D+00  0.508067D+01 -0.276236D+01
               296           297 
      1  -0.350199D+01 -0.353753D+02
      2   0.239340D+00 -0.121587D+02
      3   0.326265D+01  0.475340D+02
      4   0.172847D+01 -0.263750D+01
      5   0.207225D+01  0.168775D+02
      6   0.646733D+01  0.114740D+02
 Leave Link  716 at Wed Sep  8 15:05:46 2021, MaxMem=  6442450944 cpu:               5.6 elap:               0.9
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.208890D+03  0.614314D+01  0.769430D+01
      2   0.614314D+01  0.151633D+03 -0.880309D+01
      3   0.769430D+01 -0.880309D+01  0.136766D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1   0.652471D+01  0.440012D+01 -0.867037D+00
      2  -0.979916D+01  0.855805D+01 -0.504334D+02
      3  -0.340225D+02  0.498715D+02 -0.164682D+02
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1  -0.194048D+03  0.222934D+02 -0.396929D+02
      2   0.854601D+02 -0.237619D+02 -0.438118D+01
      3   0.108587D+03  0.146849D+01  0.440741D+02
      4   0.318291D+02 -0.108507D+03  0.243852D+02
      5   0.196711D+02  0.274764D+02 -0.972836D+02
      6   0.501216D+01  0.224794D+02  0.276937D+02
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    99 ND12= 1 LenFil=    3567:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.829170D+01  0.127452D+01  0.228273D+01  0.109834D+02 -0.388393D+00
      2   0.127452D+01 -0.149357D+01 -0.931870D-01 -0.388393D+00  0.206334D+01
      3   0.228273D+01 -0.931870D-01  0.492329D+00  0.120753D+01  0.928965D+00
                 6             7             8             9            10 
      1   0.120753D+01 -0.524579D+00 -0.173099D+01  0.967514D-01 -0.270659D+02
      2   0.928965D+00 -0.173099D+01  0.802901D+00  0.649279D+00  0.107184D+00
      3  -0.655920D+00  0.967514D-01  0.649279D+00 -0.390411D+01 -0.321205D+01
                11            12            13            14            15 
      1   0.107184D+00 -0.321205D+01  0.180328D+00 -0.131348D+01 -0.176211D+01
      2  -0.245800D+01  0.676783D+00 -0.131348D+01 -0.167336D+01 -0.419154D+00
      3   0.676783D+00 -0.186058D+01 -0.176211D+01 -0.419154D+00 -0.966459D+00
                16            17            18            19            20 
      1  -0.635367D+01 -0.165916D+01 -0.400582D+01 -0.629609D+01 -0.663624D+00
      2  -0.165916D+01 -0.629325D+00 -0.611120D+00 -0.663624D+00  0.431682D+00
      3  -0.400582D+01 -0.611120D+00 -0.293153D+01 -0.246643D+01 -0.123593D+01
                21            22            23            24            25 
      1  -0.246643D+01  0.855691D+01  0.480549D+00  0.258789D+01 -0.871631D+01
      2  -0.123593D+01  0.480549D+00  0.285446D+01  0.113027D+01 -0.741210D+00
      3   0.199382D+01  0.258789D+01  0.113027D+01  0.876204D+00 -0.398000D+00
                26            27            28            29            30 
      1  -0.741210D+00 -0.398000D+00  0.230422D+02  0.143225D+01  0.428559D+01
      2   0.175479D+01  0.749925D+00  0.143225D+01  0.223880D+01 -0.843784D-01
      3   0.749925D+00 -0.171600D+01  0.428559D+01 -0.843784D-01  0.255922D+01
                31            32            33            34            35 
      1   0.976474D+00  0.101405D+01  0.170347D+01  0.371913D+01  0.199415D+01
      2   0.101405D+01 -0.648177D+00  0.708784D+00  0.199415D+01  0.197658D+01
      3   0.170347D+01  0.708784D+00  0.187255D+01  0.493312D+01  0.839508D+00
                36            37            38            39            40 
      1   0.493312D+01 -0.957626D+01 -0.125330D+01 -0.280014D+01 -0.115532D+02
      2   0.839508D+00 -0.125330D+01  0.321032D+01  0.110505D+00 -0.758344D+00
      3   0.214428D+01 -0.280014D+01  0.110505D+00 -0.742684D+00 -0.115110D+01
                41            42            43            44            45 
      1  -0.758344D+00 -0.115110D+01  0.528623D+00  0.178660D+01  0.306716D+00
      2  -0.146544D+01 -0.145522D+01  0.178660D+01 -0.863788D+00 -0.996663D+00
      3  -0.145522D+01 -0.482031D-01  0.306716D+00 -0.996663D+00  0.393115D+01
                46            47            48            49            50 
      1   0.711183D+01  0.557445D+00  0.257547D+01 -0.757113D+01  0.782423D+00
      2   0.557445D+00 -0.158286D+01  0.132603D+01  0.782423D+00 -0.201961D+01
      3   0.257547D+01  0.132603D+01 -0.160041D+01 -0.236188D+01 -0.116949D+01
                51            52            53            54            55 
      1  -0.236188D+01  0.103864D+02  0.331434D+00 -0.167342D+00  0.153893D+02
      2  -0.116949D+01  0.331434D+00 -0.342623D+01 -0.117582D+01 -0.171745D+01
      3  -0.105235D+01 -0.167342D+00 -0.117582D+01  0.138683D+01 -0.135580D+01
                56            57            58            59            60 
      1  -0.171745D+01 -0.135580D+01 -0.396720D+01  0.361029D+01  0.142069D+01
      2   0.197719D+01  0.945261D+00  0.361029D+01  0.474514D+01  0.212375D+01
      3   0.945261D+00  0.143536D+01  0.142069D+01  0.212375D+01 -0.260224D+01
                61            62            63            64            65 
      1  -0.500886D+01  0.166417D+01  0.357548D+01 -0.101417D+01  0.309148D+01
      2   0.166417D+01  0.834418D+00 -0.209120D+01  0.309148D+01 -0.118865D+01
      3   0.357548D+01 -0.209120D+01  0.459839D+01  0.566166D+01 -0.801948D+00
                66            67            68            69            70 
      1   0.566166D+01  0.739386D+01 -0.122385D+01 -0.102439D+01  0.131987D+02
      2  -0.801948D+00 -0.122385D+01 -0.464572D+01 -0.711282D+00 -0.175581D+01
      3   0.370149D+00 -0.102439D+01 -0.711282D+00  0.330452D+01  0.467334D+00
                71            72            73            74            75 
      1  -0.175581D+01  0.467334D+00  0.170780D+00 -0.331956D+01 -0.458275D+01
      2  -0.897551D+00  0.341116D+01 -0.331956D+01  0.194489D+01  0.126062D+01
      3   0.341116D+01 -0.141372D+01 -0.458275D+01  0.126062D+01  0.231724D+00
                76            77            78            79            80 
      1  -0.393261D+01  0.994501D+00  0.803991D+00 -0.626497D+01  0.154161D+01
      2   0.994501D+00  0.290292D+01  0.900513D+00  0.154161D+01  0.120055D+01
      3   0.803991D+00  0.900513D+00 -0.341802D+01  0.743144D+00 -0.424642D+01
                81            82            83            84            85 
      1   0.743144D+00  0.436040D+00 -0.201652D+01 -0.520264D+01 -0.318932D+01
      2  -0.424642D+01 -0.201652D+01  0.132747D+01  0.841547D+00  0.174543D+01
      3   0.258673D+01 -0.520264D+01  0.841547D+00  0.928365D+00  0.177632D+01
                86            87            88            89            90 
      1   0.174543D+01  0.177632D+01 -0.653508D+01  0.144393D+01  0.288174D+00
      2   0.623895D+01  0.330295D+00  0.144393D+01  0.118242D+01 -0.282681D+01
      3   0.330295D+00 -0.295185D+01  0.288174D+00 -0.282681D+01  0.601270D+00
                91            92            93            94            95 
      1  -0.271960D+01  0.822291D+00  0.476985D+00 -0.144809D+01 -0.237304D+01
      2   0.822291D+00 -0.121098D+01 -0.292359D+00 -0.237304D+01  0.173803D+01
      3   0.476985D+00 -0.292359D+00 -0.203389D+01 -0.181496D+01 -0.406111D+01
                96            97            98            99           100 
      1  -0.181496D+01  0.438187D+01 -0.126161D+01 -0.484423D+01 -0.197065D+01
      2  -0.406111D+01 -0.126161D+01 -0.320982D+01 -0.593881D+00 -0.200778D+01
      3  -0.214487D+01 -0.484423D+01 -0.593881D+00 -0.931924D+00 -0.246564D+00
               101           102           103           104           105 
      1  -0.200778D+01 -0.246564D+00 -0.381766D+01 -0.163940D+01  0.180217D+01
      2  -0.108737D+01  0.172131D+00 -0.163940D+01 -0.268319D+01  0.208692D+01
      3   0.172131D+00  0.121588D+01  0.180217D+01  0.208692D+01 -0.131484D+01
               106           107           108           109           110 
      1  -0.247820D+00  0.901395D+00  0.144631D+01  0.492625D+01  0.354847D+01
      2   0.901395D+00  0.206838D+01 -0.501863D+00  0.354847D+01  0.231563D+01
      3   0.144631D+01 -0.501863D+00 -0.147998D+01 -0.149565D+01 -0.403593D+00
               111           112           113           114           115 
      1  -0.149565D+01  0.803158D+01  0.352409D+01 -0.168321D+01 -0.346697D+01
      2  -0.403593D+00  0.352409D+01  0.794880D+01 -0.149743D+01 -0.102041D+01
      3   0.696496D+00 -0.168321D+01 -0.149743D+01  0.301956D+01  0.181475D+01
               116           117           118           119           120 
      1  -0.102041D+01  0.181475D+01 -0.910162D+00 -0.104442D+01  0.186489D+01
      2  -0.217031D+01  0.225804D+01 -0.104442D+01  0.956940D-02 -0.523808D+00
      3   0.225804D+01 -0.229632D+01  0.186489D+01 -0.523808D+00 -0.250958D+01
               121           122           123           124           125 
      1  -0.414065D+01  0.178628D+01  0.522346D+00  0.275286D+01 -0.810915D+00
      2   0.178628D+01 -0.469320D+01 -0.148144D+01 -0.810915D+00  0.181401D+00
      3   0.522346D+00 -0.148144D+01 -0.128175D+01 -0.254836D+01 -0.552276D+00
               126           127           128           129           130 
      1  -0.254836D+01 -0.190609D+01  0.138265D+01 -0.115501D+01  0.146468D+01
      2  -0.552276D+00  0.138265D+01 -0.983685D+00  0.860131D+00 -0.156298D+01
      3   0.278993D+01 -0.115501D+01  0.860131D+00 -0.116187D+01  0.109949D+01
               131           132           133           134           135 
      1  -0.156298D+01  0.109949D+01 -0.169401D+01  0.151068D+01 -0.125638D+01
      2   0.416605D+01 -0.274164D+01  0.151068D+01 -0.274161D+01  0.221297D+01
      3  -0.274164D+01  0.279827D+01 -0.125638D+01  0.221297D+01 -0.259722D+01
               136           137           138           139           140 
      1   0.384820D+01  0.210505D+01 -0.506050D+00  0.260278D+01  0.261525D+01
      2   0.210505D+01  0.202632D+01 -0.352313D+00  0.261525D+01  0.448896D+01
      3  -0.506050D+00 -0.352313D+00  0.515965D+00 -0.934794D+00 -0.143117D+01
               141           142           143           144           145 
      1  -0.934794D+00 -0.767181D+00 -0.783455D+00  0.344272D+00  0.191197D+01
      2  -0.143117D+01 -0.783455D+00 -0.185613D+01  0.776894D+00 -0.147098D+01
      3   0.125355D+01  0.344272D+00  0.776894D+00 -0.759409D+00  0.142326D+01
               146           147           148           149           150 
      1  -0.147098D+01  0.142326D+01 -0.151039D+01  0.179823D+01 -0.122397D+01
      2   0.141044D+01 -0.108222D+01  0.179823D+01 -0.532392D+01  0.297454D+01
      3  -0.108222D+01  0.125841D+01 -0.122397D+01  0.297454D+01 -0.269178D+01
               151           152           153           154           155 
      1   0.141581D+01 -0.155054D+01  0.116553D+01 -0.343571D+01 -0.241222D+01
      2  -0.155054D+01  0.320911D+01 -0.220905D+01 -0.241222D+01 -0.279812D+01
      3   0.116553D+01 -0.220905D+01  0.213541D+01  0.614338D+00  0.369248D+00
               156           157           158           159           160 
      1   0.614338D+00 -0.285525D+01 -0.316092D+01  0.944083D+00  0.512412D+00
      2   0.369248D+00 -0.316092D+01 -0.598880D+01  0.142331D+01  0.668323D+00
      3  -0.399022D+00  0.944083D+00  0.142331D+01 -0.108119D+01 -0.414234D+00
               161           162           163           164           165 
      1   0.668323D+00 -0.414234D+00 -0.251724D+01 -0.171800D+01 -0.312020D+00
      2   0.196085D+01 -0.766415D+00 -0.171800D+01 -0.154391D+01 -0.719868D+00
      3  -0.766415D+00  0.528988D+00 -0.312020D+00 -0.719868D+00 -0.735670D+00
               166           167           168           169           170 
      1  -0.381463D+01 -0.258329D+01 -0.125389D+01  0.151117D+01 -0.663025D+00
      2  -0.258329D+01 -0.693849D+01 -0.250054D+01 -0.663025D+00 -0.108675D+01
      3  -0.125389D+01 -0.250054D+01 -0.165828D+01 -0.846476D+00 -0.121647D+01
               171           172           173           174           175 
      1  -0.846476D+00 -0.108189D+01  0.740597D+00 -0.125321D+01  0.327783D+01
      2  -0.121647D+01  0.740597D+00 -0.400664D+00  0.477337D-01 -0.925268D+00
      3  -0.149324D+01 -0.125321D+01  0.477337D-01 -0.933641D+00  0.775851D+00
               176           177           178           179           180 
      1  -0.925268D+00  0.775851D+00 -0.197866D+01  0.249511D+00 -0.227227D+01
      2   0.595546D+00 -0.150458D+01  0.249511D+00 -0.104145D+01  0.119318D+01
      3  -0.150458D+01  0.257567D+01 -0.227227D+01  0.119318D+01 -0.818652D+01
               181           182           183           184           185 
      1  -0.109509D+02 -0.112220D+01 -0.368331D+01 -0.191466D+01 -0.164820D+01
      2  -0.112220D+01 -0.110047D+01 -0.167540D+00 -0.164820D+01  0.252069D-01
      3  -0.368331D+01 -0.167540D+00 -0.216930D+01 -0.964183D-01 -0.609704D+00
               186           187           188           189           190 
      1  -0.964183D-01 -0.507313D+01  0.260359D-01 -0.274151D+01 -0.202341D+00
      2  -0.609704D+00  0.260359D-01 -0.596800D+00 -0.719208D+00  0.110999D+01
      3  -0.775189D+00 -0.274151D+01 -0.719208D+00 -0.223674D+01 -0.621864D+00
               191           192           193           194           195 
      1   0.110999D+01 -0.621864D+00  0.102625D+01 -0.660080D+00  0.228422D+00
      2  -0.370758D+00  0.224207D-01 -0.660080D+00  0.313913D+01 -0.231161D+01
      3   0.224207D-01 -0.237675D+00  0.228422D+00 -0.231161D+01  0.237093D+01
               196           197           198           199           200 
      1  -0.111574D+01  0.546575D+00 -0.481902D+00  0.594788D+01  0.384285D+00
      2   0.546575D+00 -0.348013D+01  0.315384D+01  0.384285D+00  0.184569D+01
      3  -0.481902D+00  0.315384D+01 -0.533101D+01  0.164885D+01  0.422109D+00
               201           202           203           204           205 
      1   0.164885D+01  0.302084D+00  0.986433D+00  0.211927D+00  0.192057D+01
      2   0.422109D+00  0.986433D+00  0.864170D+00  0.432836D+00  0.340527D+00
      3   0.137554D+01  0.211927D+00  0.432836D+00  0.767455D+00  0.100623D+01
               206           207           208           209           210 
      1   0.340527D+00  0.100623D+01 -0.616514D+01  0.354317D+01  0.257188D+01
      2   0.101099D+01  0.111044D+01  0.354317D+01 -0.314044D+01 -0.126936D+01
      3   0.111044D+01  0.135223D+01  0.257188D+01 -0.126936D+01 -0.172476D+01
               211           212           213           214           215 
      1   0.258137D+01 -0.268191D+01 -0.108167D+01  0.333427D+01 -0.187692D+01
      2  -0.268191D+01  0.271756D+01  0.119341D+01 -0.187692D+01  0.199458D+01
      3  -0.108167D+01  0.119341D+01  0.116367D+01 -0.228926D+01  0.198248D+01
               216           217           218           219           220 
      1  -0.228926D+01  0.626717D+01  0.427228D+00  0.131887D+01  0.478617D+00
      2   0.198248D+01  0.427228D+00  0.786907D+00 -0.182056D+00  0.358895D+00
      3   0.204776D+01  0.131887D+01 -0.182056D+00  0.233816D+01  0.325516D-01
               221           222           223           224           225 
      1   0.358895D+00  0.325516D-01  0.147562D+01 -0.967108D-01  0.140345D+01
      2  -0.415957D+00  0.482912D+00 -0.967108D-01  0.530564D+00  0.198541D+00
      3   0.482912D+00  0.739852D+00  0.140345D+01  0.198541D+00  0.267903D+01
               226           227           228           229           230 
      1  -0.107205D+01 -0.139698D+01  0.683120D+00 -0.203163D+01 -0.207861D+01
      2  -0.139698D+01 -0.141796D+01  0.745329D-01 -0.207861D+01 -0.850745D+01
      3   0.683120D+00  0.745329D-01 -0.423699D+00  0.432855D+00  0.853823D+00
               231           232           233           234           235 
      1   0.432855D+00  0.217230D+00 -0.830425D-01 -0.300265D+00 -0.687581D+01
      2   0.853823D+00 -0.830425D-01 -0.343443D+00 -0.756530D+00  0.978751D+00
      3  -0.126780D+01 -0.300265D+00 -0.756530D+00 -0.423011D-01  0.423559D+01
               236           237           238           239           240 
      1   0.978751D+00  0.423559D+01  0.241209D+01 -0.147982D+01 -0.145658D+01
      2  -0.123886D+01 -0.469878D+00 -0.147982D+01  0.481260D+00  0.877585D+00
      3  -0.469878D+00 -0.318059D+01 -0.145658D+01  0.877585D+00  0.180124D+01
               241           242           243           244           245 
      1   0.396337D+01 -0.581840D+00 -0.349813D+01 -0.722726D-01 -0.168009D+01
      2  -0.581840D+00  0.556340D+00  0.834600D+00 -0.168009D+01  0.897380D+00
      3  -0.349813D+01  0.834600D+00  0.395166D+01  0.424647D+00 -0.413609D+00
               246           247           248           249           250 
      1   0.424647D+00 -0.270669D+01  0.147383D+01 -0.747365D+00  0.604067D+00
      2  -0.413609D+00  0.147383D+01 -0.450522D+01  0.192826D+01 -0.576972D+00
      3   0.733778D+00 -0.747365D+00  0.192826D+01 -0.188032D+01  0.138730D+01
               251           252           253           254           255 
      1  -0.576972D+00  0.138730D+01 -0.699470D+01 -0.139306D+01 -0.575408D+01
      2   0.204952D+01 -0.148875D+01 -0.139306D+01  0.607022D+00 -0.500992D+00
      3  -0.148875D+01  0.247397D+01 -0.575408D+01 -0.500992D+00  0.124694D+01
               256           257           258           259           260 
      1   0.243551D+01  0.215487D+01  0.112533D+01 -0.314942D+01  0.458707D+00
      2   0.215487D+01 -0.142685D+01  0.358914D+01  0.458707D+00  0.336054D+01
      3   0.112533D+01  0.358914D+01  0.253917D+01  0.257858D+01  0.111270D+01
               261           262           263           264           265 
      1   0.257858D+01  0.402328D+01 -0.129743D+01 -0.278580D+01  0.402633D+00
      2   0.111270D+01 -0.129743D+01  0.106768D+01  0.814553D+00  0.483165D+00
      3  -0.875880D+00 -0.278580D+01  0.814553D+00  0.267260D+01 -0.432747D+00
               266           267           268           269           270 
      1   0.483165D+00 -0.432747D+00 -0.393641D+01  0.120564D+01  0.378258D+01
      2  -0.655643D+00 -0.424286D+00  0.120564D+01 -0.140142D+01 -0.137731D+01
      3  -0.424286D+00  0.347213D+00  0.378258D+01 -0.137731D+01 -0.483277D+01
               271           272           273           274           275 
      1   0.346175D+00  0.903672D+00  0.157693D+00  0.142242D+01  0.511951D-01
      2   0.903672D+00 -0.675893D+00  0.204651D-01  0.511951D-01  0.581511D+01
      3   0.157693D+00  0.204651D-01 -0.331616D+00  0.232296D+00 -0.523411D+00
               276           277           278           279           280 
      1   0.232296D+00 -0.709557D+00 -0.981733D-01 -0.460297D+00  0.109756D+02
      2  -0.523411D+00 -0.981733D-01 -0.186903D+01  0.430344D+00  0.193441D+01
      3   0.121455D+01 -0.460297D+00  0.430344D+00 -0.124356D+01  0.491458D+01
               281           282           283           284           285 
      1   0.193441D+01  0.491458D+01  0.449678D+00  0.122523D+01  0.253697D+00
      2   0.150214D+01  0.120219D+01  0.122523D+01  0.630522D+00  0.414664D+00
      3   0.120219D+01  0.334384D+01  0.253697D+00  0.414664D+00 -0.117418D+00
               286           287           288           289           290 
      1   0.359740D+01  0.717085D+00  0.286191D+01 -0.186145D+01  0.170166D+00
      2   0.717085D+00  0.268525D+00  0.615565D+00  0.170166D+00 -0.906944D+00
      3   0.286191D+01  0.615565D+00  0.284577D+01  0.229321D+01 -0.573214D+00
               291           292           293           294           295 
      1   0.229321D+01 -0.525371D+00 -0.607126D+00 -0.135848D+00  0.202285D+01
      2  -0.573214D+00 -0.607126D+00  0.175851D+00  0.462104D+00 -0.955879D-01
      3  -0.336359D+01 -0.135848D+00  0.462104D+00 -0.735895D+00 -0.167714D+01
               296           297 
      1  -0.955879D-01 -0.167714D+01
      2   0.671314D+00  0.600320D+00
      3   0.600320D+00  0.621885D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.103716D+01  0.302179D+01 -0.157052D+00  0.455038D+01  0.954871D+00
      2   0.470526D+01 -0.430026D+01  0.444064D+01 -0.649842D+00 -0.499087D+01
      3  -0.122329D+02 -0.711539D+01  0.261923D+01 -0.336597D+00 -0.179701D+01
                 6             7             8             9            10 
      1  -0.213030D+01  0.488409D+01  0.290208D+01  0.767766D+00 -0.400009D+01
      2   0.169382D+01 -0.108612D+02 -0.327455D+01  0.826594D+00 -0.698085D+01
      3   0.124910D+01  0.520586D+01  0.809412D+00 -0.272450D+00  0.172551D+02
                11            12            13            14            15 
      1  -0.208008D+01  0.558965D+00 -0.897107D+01  0.449774D+01 -0.138024D+01
      2   0.134751D+01 -0.183039D+01  0.577217D+01  0.422695D+01 -0.204521D+01
      3   0.104777D+01  0.153385D+01  0.176980D+02  0.213392D+01  0.160316D+01
                16            17            18            19            20 
      1   0.293510D+01  0.614442D+01 -0.529160D+01  0.247661D+00 -0.718770D+00
      2  -0.143501D+02 -0.184631D+01  0.647502D-01  0.412071D+01 -0.792458D+00
      3  -0.596176D+00  0.132454D+01  0.904897D+00  0.495612D+01 -0.447027D+01
                21            22            23            24            25 
      1  -0.104341D+00 -0.164095D+01 -0.166689D+01 -0.281006D+01 -0.620227D+01
      2   0.110583D+01 -0.530263D+01  0.163091D+01 -0.552517D+00 -0.106265D+02
      3   0.273422D+01  0.206337D+00  0.347924D+00 -0.118044D+01  0.857226D+01
                26            27            28            29            30 
      1   0.182226D+01 -0.399763D+01  0.201390D+01 -0.411637D+01  0.331481D+01
      2   0.176276D+01 -0.286823D+01  0.529416D+01  0.200148D+01  0.511867D+00
      3  -0.136369D+01  0.433111D+01 -0.135966D+02  0.245085D+00 -0.388396D+01
                31            32            33            34            35 
      1  -0.638219D+01  0.396129D+01 -0.965991D+00  0.709709D+01  0.643154D+01
      2   0.424520D+01  0.466139D+01  0.127954D+01 -0.867572D+01 -0.938165D+00
      3   0.190879D+02  0.359645D+01  0.161015D+01 -0.729510D+01  0.588279D+00
                36            37            38            39            40 
      1  -0.200046D+01 -0.345102D+01  0.990171D+00 -0.976400D+00  0.602029D+00
      2  -0.491750D+01  0.847382D+00 -0.427046D+01  0.391869D+01 -0.955174D+00
      3  -0.572025D+01  0.477387D+01 -0.432655D+01  0.531102D+01  0.130468D+02
                41            42            43            44            45 
      1   0.458888D+00 -0.216324D+01  0.328543D+01  0.189548D+01  0.395245D+01
      2  -0.389881D+01 -0.142057D+00 -0.993857D+01 -0.307197D+01  0.960465D+00
      3   0.273494D+00  0.338911D+01  0.437230D+01  0.354238D+00  0.778568D+00
                46            47            48            49            50 
      1   0.423628D+01  0.979779D+00 -0.172740D+01 -0.450063D+01 -0.534172D+00
      2   0.591273D+01 -0.114484D+01  0.147337D+01 -0.715419D+01  0.179216D+01
      3  -0.694225D+01 -0.413333D+01 -0.162761D+01  0.966591D+01 -0.919034D+00
                51            52            53            54            55 
      1  -0.357076D+01 -0.571635D+01  0.250336D+01 -0.151547D+01  0.262980D+01
      2  -0.279506D-01 -0.659507D+01  0.279743D+01 -0.303037D+01  0.215210D+02
      3   0.149335D+01 -0.580905D+01 -0.293906D+01  0.113553D+01 -0.155950D+02
                56            57            58            59            60 
      1  -0.629991D+00 -0.123355D+01 -0.380156D+01 -0.674611D+01 -0.726910D+01
      2  -0.480844D+01 -0.303037D+01 -0.938818D+01 -0.906213D+00  0.109420D+02
      3   0.496827D+01  0.351350D+01  0.231558D+02  0.138975D+02  0.652695D+01
                61            62            63            64            65 
      1  -0.177350D+01 -0.925646D+00  0.719028D+01 -0.233344D+01 -0.112937D+00
      2  -0.266770D+02  0.107459D+02 -0.107935D+02 -0.323686D+02  0.474438D+01
      3   0.899675D+01  0.232269D+01 -0.112634D+02  0.188121D+02 -0.886746D+01
                66            67            68            69            70 
      1   0.420372D+00  0.406092D+01  0.497105D+00 -0.418728D+01 -0.173757D+00
      2   0.325931D+01  0.107240D+02  0.775455D+00 -0.137524D+02  0.396231D+01
      3  -0.291761D+01 -0.295714D+01 -0.199477D+02 -0.377945D+01 -0.117004D+02
                71            72            73            74            75 
      1   0.345972D+01 -0.423384D+00  0.914317D+01 -0.294292D+01 -0.951098D+00
      2  -0.153651D+02  0.635838D+01  0.198718D+02 -0.460822D+01  0.110614D+01
      3  -0.433701D+01  0.156979D+02 -0.167271D+02 -0.323440D+01 -0.414438D+01
                76            77            78            79            80 
      1  -0.190968D+01 -0.260684D+01  0.582147D+01 -0.320701D+01  0.131997D+02
      2  -0.374423D+01 -0.330873D+01  0.134348D+02 -0.578369D+01  0.168649D+02
      3  -0.209072D+01  0.153288D+02  0.574092D+01 -0.520194D+01  0.827281D+01
                81            82            83            84            85 
      1  -0.585239D+01 -0.600862D+01  0.295122D+01  0.274417D+01  0.531768D+01
      2  -0.100432D+02  0.247435D+02 -0.237471D+01  0.804563D+01 -0.465820D+01
      3  -0.168118D+02 -0.887661D+01  0.490769D+01  0.871842D+01  0.117077D+02
                86            87            88            89            90 
      1   0.116399D+02 -0.506776D+01  0.338147D+01  0.169344D+01 -0.454531D+01
      2  -0.308160D+01  0.108480D+02  0.577069D+01  0.108339D+02 -0.362909D+01
      3   0.259847D+02  0.440261D+00  0.120094D+02  0.451311D+01 -0.131541D+02
                91            92            93            94            95 
      1  -0.171050D+01 -0.202815D+01  0.386399D-01 -0.556130D+01  0.198571D+01
      2   0.109415D+02 -0.521356D+00 -0.752809D+00 -0.317321D+01 -0.102726D+02
      3  -0.164781D+01 -0.118222D+01  0.721697D+00  0.146104D+02 -0.614714D+01
                96            97            98            99           100 
      1  -0.865129D+01  0.149517D+01  0.190541D+00 -0.462523D-01  0.189204D+01
      2  -0.390708D+01 -0.292611D+02 -0.190126D+01  0.428540D+00 -0.218889D+02
      3   0.139060D+02  0.335037D+01  0.112979D+02  0.297202D+01  0.450839D+01
               101           102           103           104           105 
      1   0.572298D+01  0.254244D+01  0.352212D+01  0.205276D+01  0.488233D+01
      2   0.266019D+01  0.768998D+01  0.777941D+01  0.725220D+01 -0.685134D+01
      3   0.666726D+00 -0.119011D+01  0.557643D+01  0.135232D+02 -0.899303D+01
               106           107           108           109           110 
      1  -0.960147D+00  0.455195D+01  0.216907D+00 -0.138937D+01 -0.279144D+01
      2  -0.120230D+01 -0.250513D+01  0.756803D+01  0.450406D+00 -0.136790D+01
      3  -0.884238D+00 -0.155937D+02  0.672381D+00 -0.110230D+02 -0.114212D+02
               111           112           113           114           115 
      1  -0.305031D+01 -0.195932D+00 -0.555064D+01 -0.717321D+01 -0.616341D+00
      2   0.548772D+01 -0.857337D+01 -0.713566D+01  0.127347D+02  0.574968D+01
      3   0.153019D+01 -0.434755D+01 -0.329750D+02  0.520025D+01 -0.991266D+00
               116           117           118           119           120 
      1   0.312962D+01  0.113359D+01  0.299638D+01 -0.992606D+00 -0.126843D+01
      2   0.905238D+01 -0.124624D+02  0.842399D+01 -0.338416D+01 -0.625695D+01
      3   0.112329D+02 -0.868038D+01  0.503775D+01 -0.229012D+01 -0.507934D-01
               121           122           123           124           125 
      1   0.297083D+01  0.343812D+01 -0.693511D+01 -0.229819D+01  0.200774D+01
      2   0.298035D+01 -0.452269D+01 -0.583233D+01 -0.828374D+01 -0.283671D+01
      3   0.641981D+00  0.185051D+02  0.347231D+01  0.203969D+01  0.144128D+01
               126           127           128           129           130 
      1   0.290996D+01 -0.107330D+01  0.105510D+01  0.102444D+01  0.145208D+01
      2   0.738390D+01 -0.331579D+01  0.114883D+01 -0.111020D+00  0.213872D+01
      3   0.526708D+01 -0.323590D+01  0.609259D+00 -0.420343D+00  0.257325D+01
               131           132           133           134           135 
      1  -0.333790D+01 -0.120125D+01 -0.111843D+01  0.378442D+01 -0.355354D-01
      2   0.175067D+00 -0.157565D+01 -0.377460D+01  0.369874D+00  0.971181D+00
      3   0.125159D+01 -0.557134D+00 -0.203912D+01 -0.855329D+00  0.109225D+00
               136           137           138           139           140 
      1  -0.153012D+01 -0.234997D+01 -0.141129D+01 -0.121962D+01 -0.172208D+01
      2   0.437355D+01  0.187255D+01  0.587086D+00  0.221873D+01  0.140431D+01
      3   0.620589D+01  0.756111D+00 -0.566990D+00  0.438058D+01 -0.900701D+00
               141           142           143           144           145 
      1  -0.262975D+01  0.115655D+00  0.190300D+01  0.133121D+00  0.159678D+01
      2   0.120238D+01 -0.108085D+01 -0.521546D+00 -0.698406D+00 -0.123040D+01
      3  -0.151504D+00  0.488356D+00  0.117683D+01  0.379397D-01 -0.445239D+01
               146           147           148           149           150 
      1  -0.332526D+00  0.261849D+01 -0.703349D+00  0.411188D+00 -0.441093D+01
      2   0.202845D+00  0.381980D+00  0.959631D+00  0.474362D+00 -0.181191D+01
      3   0.101298D+01 -0.190788D+01  0.361541D+01 -0.254486D+00  0.929185D+00
               151           152           153           154           155 
      1   0.676626D+00  0.103832D+01  0.236470D+01  0.103042D+01 -0.684902D+00
      2  -0.248203D+01 -0.821933D-01  0.641606D+00  0.146753D+01  0.597631D+00
      3  -0.325068D+01  0.767300D+00 -0.125942D+01  0.725515D+01  0.856905D+00
               156           157           158           159           160 
      1  -0.208729D+01  0.159723D+01  0.162008D+01 -0.389932D+01 -0.469169D+00
      2   0.914614D+00  0.528088D-01  0.201588D+00  0.178364D+01 -0.124902D+01
      3  -0.113143D+01  0.518733D+01 -0.104106D+01 -0.567703D+00 -0.218638D-02
               161           162           163           164           165 
      1   0.740859D+00  0.839463D+00  0.215204D+01  0.183650D+01 -0.460910D-01
      2   0.108847D+00 -0.530115D+00 -0.311594D+01 -0.241049D+00  0.298536D+01
      3   0.121336D+01  0.975870D-01 -0.465887D+01 -0.507683D+01 -0.206371D+01
               166           167           168           169           170 
      1   0.261205D+01  0.920119D+01 -0.278722D+00  0.687622D+00  0.170210D+01
      2  -0.130940D+01  0.362432D+01  0.402971D+01  0.270903D+01  0.245415D+01
      3  -0.280246D+01 -0.215328D+02 -0.741843D+01 -0.344176D+01 -0.314726D+01
               171           172           173           174           175 
      1   0.957650D-01 -0.195952D+01  0.842467D+00 -0.575630D+00  0.152274D+01
      2   0.378234D+01  0.314673D+01  0.643940D+00  0.218702D+01  0.246011D+01
      3  -0.304262D+01  0.449211D+01 -0.305904D+01  0.107714D+01 -0.333090D+01
               176           177           178           179           180 
      1  -0.255258D+01  0.301846D+01 -0.171081D+01  0.527790D+01 -0.662947D+01
      2   0.350955D+01 -0.774419D+01  0.200195D+01 -0.345742D+01  0.235012D+02
      3   0.242639D+01 -0.563025D+01  0.174067D+01 -0.418409D+01  0.662426D+01
               181           182           183           184           185 
      1   0.386576D+00  0.104806D+01 -0.718684D-02  0.315407D+00  0.393598D-01
      2   0.933818D+01 -0.542724D-01  0.103929D+02 -0.112871D+01  0.174799D+01
      3  -0.412943D+01 -0.774602D+01 -0.330284D+00 -0.536504D+01  0.678825D+00
               186           187           188           189           190 
      1  -0.663466D+00 -0.189655D-01  0.154146D+01  0.265412D+00  0.983806D+00
      2   0.367826D+01  0.675916D+01  0.358447D+01  0.860341D+01  0.268637D+01
      3  -0.255658D+01  0.120468D+01 -0.317647D+01 -0.330405D+01  0.578641D+01
               191           192           193           194           195 
      1   0.497539D-01  0.992648D-01 -0.168198D+00  0.326751D+01 -0.631341D+01
      2   0.163521D+00  0.104277D+01  0.877591D-01  0.858689D+01 -0.894012D+01
      3  -0.216322D+00 -0.120763D+01  0.119498D+01  0.114754D+02 -0.945999D+01
               196           197           198           199           200 
      1   0.215006D+00 -0.337047D+01  0.118827D+02 -0.318395D+01  0.704542D-01
      2  -0.130984D+01 -0.115618D+02  0.206010D+02 -0.898722D+01 -0.155401D+01
      3  -0.139617D+01 -0.139663D+02  0.130685D+02  0.195346D+02  0.689026D+01
               201           202           203           204           205 
      1  -0.354922D+01 -0.297883D+00 -0.941876D+00 -0.231115D+01 -0.264098D+01
      2  -0.419813D+01 -0.758290D+00 -0.201072D+01 -0.240565D+01 -0.631496D+01
      3   0.578467D+01  0.755461D+01  0.463173D+01  0.276638D+01  0.586406D+01
               206           207           208           209           210 
      1  -0.660015D+00 -0.272655D+01 -0.569141D+01  0.187458D+01  0.482410D+01
      2  -0.409374D+01 -0.462163D+01 -0.102554D+02  0.509691D+01  0.886808D+01
      3   0.430896D+01  0.722807D+01  0.272325D+01 -0.876500D+01 -0.147246D+00
               211           212           213           214           215 
      1   0.279007D+01 -0.208340D+01 -0.388771D+01  0.488191D+01 -0.251897D+01
      2   0.368986D+01 -0.483617D+01 -0.552701D+01  0.786098D+01 -0.807234D+01
      3  -0.383570D+01  0.687803D+01  0.253759D+01 -0.330032D-01  0.579518D+01
               216           217           218           219           220 
      1  -0.480022D+01  0.603139D+00  0.233292D+01  0.110892D+01  0.130711D+01
      2  -0.910750D+01 -0.209988D+02  0.323019D+00 -0.114020D+02 -0.176707D+00
      3   0.440074D+01 -0.430126D+01  0.181919D+01 -0.200095D+01  0.370914D+01
               221           222           223           224           225 
      1  -0.159504D+00  0.195033D-01  0.877328D+00  0.207851D+01  0.190180D+01
      2  -0.278056D+01 -0.305508D+01 -0.117561D+02 -0.896283D+00 -0.132719D+02
      3  -0.202513D+01  0.160577D+01 -0.203414D+01  0.117085D+01 -0.628176D+00
               226           227           228           229           230 
      1  -0.133343D+01 -0.192230D+01 -0.582683D+00 -0.205735D+01 -0.123191D+02
      2  -0.280521D+01  0.116736D+01  0.165351D+01  0.828692D+00 -0.265877D+01
      3  -0.570176D+01 -0.533776D+01 -0.125090D+00 -0.324175D+01 -0.356112D+02
               231           232           233           234           235 
      1  -0.314206D+01 -0.232346D+00 -0.172816D+00 -0.113009D+01  0.482439D+01
      2   0.562863D+01 -0.404253D+00  0.304973D+01  0.828673D+00 -0.890852D+01
      3   0.285648D+01 -0.263950D+00 -0.167710D+01 -0.291122D+01  0.885955D+01
               236           237           238           239           240 
      1  -0.370799D+01 -0.289565D+01 -0.306615D+01  0.188422D+01  0.131727D+01
      2   0.438379D+00  0.102904D+02  0.255448D+01 -0.201336D+01 -0.683475D+01
      3  -0.846402D+01 -0.488210D+01 -0.722767D+01  0.347508D+01  0.440102D+01
               241           242           243           244           245 
      1  -0.394327D+01  0.317282D+01  0.364480D+01 -0.212008D+01  0.111004D+01
      2   0.732069D+01 -0.274593D+01 -0.137760D+02  0.147588D+01  0.275859D+00
      3  -0.534245D+01  0.393405D+01  0.602447D+01  0.547352D+01 -0.267935D+01
               246           247           248           249           250 
      1  -0.289722D+00  0.114199D+01 -0.533114D+01 -0.512495D+00 -0.646807D+00
      2   0.247913D+01  0.529859D+00  0.476468D+01 -0.463422D+01  0.186824D+01
      3   0.151910D+01 -0.273349D-01  0.134959D+02 -0.556165D+01  0.123101D+01
               251           252           253           254           255 
      1   0.308698D+01 -0.565642D+00  0.387626D+01  0.359182D+01 -0.366799D+01
      2  -0.379113D+01  0.578111D+01 -0.444909D+01  0.987290D+00  0.178848D+02
      3  -0.648542D+01  0.403929D+01 -0.442593D+01 -0.688214D+01 -0.605617D+01
               256           257           258           259           260 
      1   0.391539D+01 -0.985217D+01  0.360594D+01 -0.995994D+00  0.959428D+01
      2   0.189043D+01  0.876190D+01  0.624804D+01  0.137413D+02  0.328951D+01
      3  -0.662946D+01  0.666023D+01 -0.126383D+02 -0.711580D+01 -0.114327D+02
               261           262           263           264           265 
      1   0.574851D+01 -0.253243D+01 -0.407269D+00  0.288272D+01 -0.180617D+00
      2  -0.705680D+01 -0.747445D+01  0.321509D+01  0.926065D+01 -0.140006D+01
      3  -0.205298D+01  0.829488D+00 -0.350919D+01 -0.264166D+00 -0.121129D+01
               266           267           268           269           270 
      1  -0.623074D+00  0.133422D-01  0.380728D+01  0.373423D+00 -0.491270D+01
      2  -0.135595D+01  0.143234D+01  0.106255D+02 -0.447150D+01 -0.176568D+02
      3   0.151524D+01  0.154706D+01 -0.372389D+00  0.478805D+01  0.148025D+01
               271           272           273           274           275 
      1   0.272626D+01 -0.184615D+01  0.108861D+01 -0.993346D+00  0.136841D+02
      2   0.892907D-01 -0.121328D+01 -0.855444D+00 -0.147677D+01 -0.137510D+01
      3  -0.372666D+01  0.283835D+01 -0.712353D+00  0.391347D+01 -0.174834D+02
               276           277           278           279           280 
      1  -0.568161D+01  0.108236D+01 -0.409466D+01  0.520788D+01 -0.131112D+01
      2   0.291139D+01 -0.162901D+01  0.132323D+01 -0.296849D+01 -0.580534D+01
      3   0.250593D+01 -0.246717D+01  0.605177D+01 -0.218617D+01  0.530962D+01
               281           282           283           284           285 
      1   0.312203D+01 -0.168472D+01  0.220276D+01  0.136369D+01 -0.377983D+00
      2   0.691244D+00  0.396631D+01 -0.152763D+00 -0.113450D+01 -0.522635D+00
      3  -0.538074D+01  0.843649D+00 -0.209324D+01 -0.128694D+01 -0.419629D+00
               286           287           288           289           290 
      1  -0.191831D+01  0.923968D+00 -0.203828D+01 -0.274763D+01 -0.293530D+01
      2   0.746182D+00  0.407429D+00  0.427044D+01  0.130233D+02 -0.133565D+01
      3   0.207672D+01 -0.112492D+01  0.925591D+00 -0.360379D+01  0.171437D+01
               291           292           293           294           295 
      1   0.300012D+01 -0.207968D+01 -0.537240D+00  0.551907D+00  0.228484D+01
      2  -0.131126D+02  0.108954D+01  0.269257D+01 -0.168517D+01 -0.113109D+02
      3   0.412127D+01  0.242145D+01 -0.107754D+01 -0.102143D+01  0.308492D+01
               296           297 
      1   0.241714D+01 -0.614122D+01
      2   0.170837D+01  0.210148D+02
      3  -0.108049D+01 -0.450837D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.670063D+00  0.156787D+02 -0.572093D+01 -0.238138D+02  0.159746D+02
      2   0.548400D+01 -0.140495D+02  0.786756D+01  0.157307D+02 -0.536697D+01
      3  -0.481394D+01 -0.162913D+01 -0.214663D+01  0.808311D+01 -0.106076D+02
      4   0.131085D+02  0.485612D+01  0.612388D+01  0.157430D+02  0.478232D+00
      5  -0.886702D+01  0.790391D+01 -0.624397D+01 -0.624842D+01 -0.265984D+01
      6   0.902058D+01  0.256050D+01  0.835639D-02 -0.480598D+01  0.961689D+01
                 6             7             8             9            10 
      1  -0.131444D+02  0.890230D+01  0.290160D+01 -0.971157D+01  0.516159D+02
      2   0.696264D+01 -0.759079D+01  0.230189D+01 -0.932954D+01 -0.271916D+02
      3   0.618174D+01 -0.131151D+01 -0.520349D+01  0.190411D+02 -0.244243D+02
      4  -0.296685D+01  0.876081D+01 -0.725866D+01  0.325529D+01 -0.411910D+01
      5  -0.208692D+01  0.342642D+01  0.312141D+01 -0.162728D+01  0.533138D+01
      6  -0.632485D+01  0.602076D+01 -0.102949D+01  0.429546D+01  0.752850D+00
                11            12            13            14            15 
      1  -0.326965D+01  0.505019D+01 -0.129737D+02 -0.179381D+02  0.732337D+01
      2   0.619449D+01 -0.499755D+01  0.354288D+01  0.135119D+02 -0.115529D+02
      3  -0.292484D+01 -0.526436D-01  0.943077D+01  0.442625D+01  0.422949D+01
      4   0.705617D+01 -0.401350D+01 -0.127152D+02  0.212619D+01  0.386830D-02
      5  -0.341828D+01  0.214113D+01  0.133250D+02 -0.147417D+01  0.196745D+01
      6   0.140178D+01 -0.647647D+00 -0.241754D+01 -0.507023D+01  0.558320D+01
                16            17            18            19            20 
      1   0.166821D+01  0.891585D+01 -0.756218D+01  0.438368D+00 -0.156883D+02
      2  -0.321628D+01 -0.411279D+01 -0.789283D+00 -0.882057D+01  0.738049D+01
      3   0.154807D+01 -0.480305D+01  0.835146D+01  0.838220D+01  0.830781D+01
      4   0.154814D+02  0.272686D+01  0.150205D+00 -0.161280D+02 -0.709782D+01
      5   0.790338D+01  0.730112D+00  0.379405D+01  0.344909D+01 -0.362360D+01
      6   0.947961D+01  0.111311D+02  0.521733D+01 -0.573028D+01 -0.590558D+01
                21            22            23            24            25 
      1   0.128783D+02  0.171828D+02  0.298654D+01 -0.337572D+01 -0.102525D+02
      2  -0.286554D+01 -0.116944D+02 -0.299976D+01  0.379707D+01  0.110232D+02
      3  -0.100127D+02 -0.548846D+01  0.132188D-01 -0.421351D+00 -0.770664D+00
      4  -0.162186D+01  0.697106D+01 -0.514262D+01  0.603054D+01 -0.926111D+01
      5   0.708398D+01  0.280946D+01  0.740281D+01 -0.235800D+01  0.832560D+01
      6   0.124477D+01  0.124753D+02  0.857226D+01  0.444277D+01 -0.769998D+01
                26            27            28            29            30 
      1  -0.149948D+02  0.449983D+00  0.556891D+01  0.217097D+01  0.145454D+01
      2   0.151340D+02 -0.554630D+01 -0.600454D+01 -0.326046D+01 -0.201770D+01
      3  -0.139173D+00  0.509632D+01  0.435625D+00  0.108948D+01  0.563163D+00
      4  -0.101932D+01 -0.340441D+01 -0.199793D+01  0.580290D+01 -0.105499D+01
      5  -0.222704D+01 -0.487172D+01  0.348314D+01 -0.896487D+00  0.387236D+01
      6  -0.313496D+00  0.294995D+00  0.643709D+01  0.159188D+01 -0.180173D+01
                31            32            33            34            35 
      1  -0.869852D+01 -0.184995D+02  0.591486D+01 -0.756056D+01  0.898274D+01
      2  -0.128951D+01  0.114440D+02 -0.125648D+02  0.190400D+01 -0.695543D+01
      3   0.998803D+01  0.705545D+01  0.664998D+01  0.565656D+01 -0.202731D+01
      4  -0.127696D+02 -0.245048D+01  0.583872D-01  0.165694D+02  0.409491D+01
      5   0.132645D+02  0.200848D+00  0.624856D+01  0.121136D+02  0.259140D+01
      6  -0.689583D+01 -0.711085D+01  0.425857D+01  0.400815D+01  0.987857D+01
                36            37            38            39            40 
      1  -0.392331D+01  0.976780D+01  0.215911D+02 -0.296925D+01 -0.135447D+02
      2   0.816410D-01  0.175336D+01 -0.202230D+02  0.591126D+01  0.127602D+02
      3   0.384167D+01 -0.115212D+02 -0.136809D+01 -0.294201D+01  0.784495D+00
      4   0.199094D+01  0.981282D+01 -0.735919D+00  0.611143D+01  0.111495D+02
      5  -0.113064D+01 -0.835508D+01  0.865245D+01 -0.658983D+01 -0.116571D+01
      6   0.300259D+01  0.641395D+01 -0.174587D+01 -0.487582D+00 -0.767112D+01
                41            42            43            44            45 
      1   0.869913D+01 -0.116025D+02  0.749769D+01 -0.258539D+01 -0.770290D+01
      2   0.855586D+00  0.102815D+02 -0.993589D+01  0.693321D+01 -0.623942D+01
      3  -0.955472D+01  0.132101D+01  0.243820D+01 -0.434782D+01  0.139423D+02
      4   0.177219D+01 -0.448923D+01  0.444769D+01 -0.110206D+02  0.411363D+01
      5  -0.388816D+01 -0.382698D+01  0.745166D+01  0.359478D+01 -0.187666D+01
      6   0.128986D+02 -0.676113D+01  0.505803D+01  0.101074D+01 -0.335718D+00
                46            47            48            49            50 
      1  -0.361776D+01 -0.165612D+02  0.787005D+01  0.239555D+02 -0.333511D+01
      2  -0.623813D+01  0.839976D+01 -0.440646D+01 -0.185397D+02  0.181946D+01
      3   0.985589D+01  0.816143D+01 -0.346359D+01 -0.541577D+01  0.151565D+01
      4  -0.123672D+02 -0.957549D+01 -0.116907D+01  0.146626D+01 -0.640627D+01
      5  -0.101702D+01 -0.370748D+01  0.856252D+01  0.673672D+01  0.629533D+01
      6  -0.420949D+01 -0.809186D+01  0.440231D+01  0.110992D+02  0.121778D+02
                51            52            53            54            55 
      1  -0.301103D+01 -0.259371D+02 -0.213870D+02  0.114674D+01 -0.459025D+02
      2   0.450288D+01  0.159906D+02  0.230043D+02 -0.286106D+01  0.193660D+02
      3  -0.149185D+01  0.994652D+01 -0.161737D+01  0.171432D+01  0.265365D+02
      4   0.616967D+01 -0.892958D+01  0.202732D+01  0.251724D+00  0.117550D+02
      5  -0.492967D+00  0.103370D+02 -0.173160D+01 -0.314869D+01  0.176664D+02
      6   0.584252D+01 -0.369210D+01  0.512536D+01  0.685564D+00  0.175076D+01
                56            57            58            59            60 
      1   0.109741D+02  0.141137D+02  0.237452D+02 -0.410517D+01 -0.991380D+01
      2  -0.580530D+01 -0.631707D+01 -0.182960D+02 -0.355126D+01 -0.612723D+01
      3  -0.516880D+01 -0.779659D+01 -0.544920D+01  0.765643D+01  0.160410D+02
      4  -0.152142D+02 -0.648674D+01 -0.257774D+02 -0.370465D+02 -0.159228D+02
      5  -0.692334D+01 -0.963759D+01 -0.990475D+01 -0.152237D+02  0.174126D+02
      6  -0.388516D+01 -0.174639D+01 -0.108961D+02 -0.141471D+02 -0.638364D+01
                61            62            63            64            65 
      1   0.388433D+02 -0.111313D+02  0.267283D+01 -0.417145D+02 -0.231215D+02
      2  -0.115527D+02 -0.220018D+01  0.147494D+02  0.253966D+02  0.996083D+01
      3  -0.272906D+02  0.133315D+02 -0.174223D+02  0.163179D+02  0.131606D+02
      4  -0.103091D+02 -0.699226D+01  0.143899D+02 -0.243006D+02  0.107485D+02
      5  -0.208716D+02  0.143426D+02 -0.308428D+02 -0.572818D+02  0.503791D+01
      6  -0.222724D+01 -0.329949D+01  0.478940D+01  0.315134D+00  0.424592D+00
                66            67            68            69            70 
      1  -0.529502D+02 -0.424162D+02  0.997376D+01  0.515223D+01 -0.854295D+02
      2   0.259855D+02  0.250092D+02 -0.102844D+02 -0.424573D+01  0.414600D+02
      3   0.269647D+02  0.174070D+02  0.310686D+00 -0.906496D+00  0.439695D+02
      4   0.601985D+01  0.856937D+01  0.371095D+02  0.548868D+01  0.132510D+02
      5  -0.585283D+01  0.845158D+01  0.399922D+01 -0.263257D+02 -0.769716D+01
      6   0.992879D+00  0.165889D+01 -0.182001D+00  0.160279D+00 -0.239511D+01
                71            72            73            74            75 
      1   0.912803D+01 -0.138291D+02  0.804377D+01  0.262706D+02  0.366542D+02
      2  -0.574897D+01  0.981517D+01 -0.121296D+02 -0.885224D+01 -0.162490D+02
      3  -0.337906D+01  0.401393D+01  0.408578D+01 -0.174184D+02 -0.204052D+02
      4   0.911260D+01 -0.279202D+02  0.259154D+02 -0.249954D+02 -0.218406D+02
      5  -0.282425D+02  0.102940D+02  0.368790D+02 -0.133644D+02 -0.498501D+01
      6   0.118643D+01  0.161951D+01 -0.179022D+02  0.457788D+01  0.102935D+00
                76            77            78            79            80 
      1   0.297801D+02 -0.151828D+02 -0.115274D+02  0.472599D+02 -0.191676D+02
      2  -0.130971D+02  0.182261D+02  0.740513D+01 -0.204997D+02  0.109643D+02
      3  -0.166830D+02 -0.304328D+01  0.412225D+01 -0.267603D+02  0.820333D+01
      4  -0.179357D+02 -0.164080D+02 -0.448608D+01 -0.270041D+02 -0.543940D+01
      5  -0.941260D+01 -0.462877D+01  0.277860D+02 -0.102030D+02  0.348656D+02
      6   0.342699D+01  0.518194D+01 -0.142559D+02  0.465350D+01 -0.169427D+02
                81            82            83            84            85 
      1   0.549168D+01  0.433946D+01  0.167089D+02  0.484773D+02  0.256929D+02
      2  -0.104656D+02  0.132485D+02 -0.123070D+02 -0.251790D+02 -0.211211D+02
      3   0.497391D+01 -0.175879D+02 -0.440190D+01 -0.232983D+02 -0.457185D+01
      4   0.353541D+02  0.181697D+02 -0.103623D+02 -0.526366D+01 -0.144948D+02
      5  -0.204651D+02  0.446269D+02 -0.108927D+02 -0.212306D+02 -0.213358D+02
      6   0.114399D+02 -0.307782D+01  0.239985D+01  0.303617D+01  0.314773D+01
                86            87            88            89            90 
      1  -0.995465D+01 -0.121450D+02  0.566261D+02 -0.752932D+01 -0.725098D+01
      2  -0.983210D+01  0.126678D+02 -0.303764D+02  0.928486D+01  0.497689D+01
      3   0.197867D+02 -0.522840D+00 -0.262497D+02 -0.175554D+01  0.227408D+01
      4  -0.560956D+02 -0.311832D+01 -0.944877D+01 -0.105487D+02  0.240189D+02
      5   0.555622D+00  0.268320D+02 -0.179622D+02  0.249440D+02 -0.169679D+01
      6   0.101065D+02  0.293126D+01  0.480944D+01  0.354797D+01 -0.839383D+01
                91            92            93            94            95 
      1   0.812913D+01  0.801691D+01  0.151672D+02  0.498658D+01  0.455932D+01
      2  -0.667541D+01 -0.397577D+01 -0.448887D+01  0.100252D+01  0.288276D+01
      3  -0.145372D+01 -0.404114D+01 -0.106783D+02 -0.598910D+01 -0.744208D+01
      4   0.750772D+01 -0.448893D+01  0.313186D+00 -0.129501D+02  0.134488D+02
      5   0.120414D+02  0.263279D+00 -0.672792D+01 -0.845949D+01 -0.254161D+02
      6   0.142545D+01 -0.464993D+01 -0.393434D+00 -0.125973D+02  0.500410D+01
                96            97            98            99           100 
      1   0.335278D+01  0.313173D+02  0.110885D+01 -0.103997D+02 -0.780100D+01
      2   0.302415D+01 -0.123546D+02 -0.264002D+00  0.557250D+01  0.170152D+01
      3  -0.637693D+01 -0.189627D+02 -0.844846D+00  0.482717D+01  0.609948D+01
      4  -0.246785D+02 -0.810043D+01 -0.203718D+02 -0.122401D+01 -0.145636D+02
      5  -0.837768D+01 -0.298405D+02 -0.845117D+00 -0.403527D+01  0.470989D+01
      6  -0.158247D+02 -0.358303D+01 -0.115976D+02 -0.395736D+01  0.118945D+01
               101           102           103           104           105 
      1  -0.100823D+02 -0.444097D+01 -0.255673D+02 -0.129496D+02  0.909091D+01
      2   0.501253D+01  0.364228D-02  0.156747D+02  0.651426D+00 -0.940982D+01
      3   0.506974D+01  0.443733D+01  0.989260D+01  0.122981D+02  0.318906D+00
      4  -0.158488D+02  0.218354D+01 -0.288385D+02 -0.221718D+02  0.170005D+02
      5   0.258005D+01  0.523171D+01  0.156617D+02  0.169755D+02 -0.141796D+02
      6   0.781751D+01 -0.992149D+00  0.866969D+01  0.385740D+01 -0.110435D+02
               106           107           108           109           110 
      1   0.938661D+01  0.544191D+01  0.130532D+02  0.464844D+02  0.251602D+02
      2  -0.140174D+01 -0.288242D+01 -0.713159D+01 -0.212156D+02 -0.956538D+01
      3  -0.798487D+01 -0.255949D+01 -0.592163D+01 -0.252688D+02 -0.155948D+02
      4   0.652071D+01  0.287166D+02 -0.571680D+01  0.345662D+02  0.299611D+02
      5   0.106179D+02 -0.528338D+01 -0.934417D+00 -0.176444D+02 -0.657086D+01
      6  -0.145845D+00 -0.563108D+01  0.554700D+00 -0.661964D+01 -0.595828D+01
               111           112           113           114           115 
      1  -0.109925D+02  0.448569D+02  0.116731D+02 -0.586663D+01 -0.186029D+02
      2   0.656050D+01 -0.188340D+02  0.662216D+01  0.409201D+01  0.122319D+02
      3   0.443204D+01 -0.260230D+02 -0.182953D+02  0.177462D+01  0.637095D+01
      4  -0.450600D+01  0.398841D+02  0.689915D+02 -0.134992D+02 -0.106228D+02
      5   0.133775D+02 -0.187451D+02 -0.136045D+02  0.258380D+02  0.224154D+02
      6   0.372753D+01 -0.634095D+01 -0.170555D+02  0.142381D+02  0.371749D+01
               116           117           118           119           120 
      1  -0.161252D+01  0.249797D+01  0.135142D+01 -0.123834D+02  0.111886D+02
      2   0.124562D+01 -0.794507D+01  0.727799D+01  0.266561D+01 -0.104715D+02
      3   0.366907D+00  0.544709D+01 -0.862942D+01  0.971778D+01 -0.717167D+00
      4  -0.225067D+02  0.194747D+02 -0.102483D+02  0.943290D+01 -0.603635D+01
      5   0.188931D+02 -0.225803D+02  0.176970D+02 -0.290106D+01 -0.172075D+02
      6   0.145421D+02 -0.958656D+01 -0.204901D+01  0.150573D+00  0.279927D+01
               121           122           123           124           125 
      1  -0.229681D+02  0.226812D+01 -0.315172D+01  0.208141D+02 -0.996032D+01
      2   0.685771D+01  0.132622D+02  0.161001D+01 -0.168622D+02  0.464450D+01
      3   0.161103D+02 -0.155303D+02  0.154171D+01 -0.395193D+01  0.531582D+01
      4   0.284723D+02 -0.430351D+02 -0.121872D+02 -0.692692D+01 -0.102406D+01
      5   0.816440D+01 -0.970613D+01 -0.121125D+02 -0.207806D+02 -0.298252D+01
      6  -0.523052D+01  0.117910D+02  0.122683D+02  0.366519D+01  0.738710D+01
               126           127           128           129           130 
      1  -0.233928D+02  0.885196D+00  0.784466D+00 -0.259391D+01  0.293639D+01
      2   0.154724D+02 -0.117492D+01 -0.328661D-02 -0.146791D+01 -0.246560D+01
      3   0.792047D+01  0.289723D+00 -0.781180D+00  0.406182D+01 -0.470797D+00
      4  -0.196215D+01 -0.692865D+01  0.671415D+01 -0.431418D+01  0.787179D+01
      5   0.241489D+02  0.430053D+01 -0.407338D+01  0.514404D+01 -0.412482D+01
      6   0.129618D+01 -0.456845D+01  0.456962D+01 -0.393871D+01  0.606932D+01
               131           132           133           134           135 
      1  -0.152720D+02  0.123030D+02 -0.109938D+01  0.917406D+01 -0.111131D+02
      2   0.115764D+02 -0.368313D+01 -0.794317D+00 -0.434141D+01  0.788834D+00
      3   0.369563D+01 -0.861989D+01  0.189370D+01 -0.483265D+01  0.103243D+02
      4  -0.112117D+02  0.641974D+01 -0.630796D+01  0.834359D+01 -0.675213D+01
      5   0.471492D+01 -0.433366D+01  0.530757D+01 -0.471064D+01  0.708906D+01
      6  -0.165362D+02  0.135961D+02 -0.532682D+01  0.121034D+02 -0.125662D+02
               136           137           138           139           140 
      1   0.478698D+01 -0.170549D+01  0.751573D-01 -0.367569D+01 -0.120233D+02
      2   0.734657D+00  0.497916D+01 -0.226859D+00  0.632070D+01  0.170808D+02
      3  -0.552164D+01 -0.327367D+01  0.151702D+00 -0.264501D+01 -0.505753D+01
      4   0.898122D+01  0.800511D+01 -0.199950D+01  0.100679D+02  0.128977D+02
      5  -0.623742D+01 -0.344505D+01  0.327723D+01 -0.551902D+01 -0.691900D+01
      6  -0.217981D+01 -0.217110D+01  0.231107D+01 -0.467230D+01 -0.870151D+01
               141           142           143           144           145 
      1   0.455254D+01  0.122544D+01  0.522539D+01 -0.343579D+01 -0.283913D+01
      2  -0.327071D+01 -0.171432D+01 -0.537605D+01  0.223337D+01  0.355042D+01
      3  -0.128183D+01  0.488878D+00  0.150667D+00  0.120242D+01 -0.711285D+00
      4  -0.334012D+01 -0.307841D+01 -0.286662D+01  0.267453D+01 -0.795316D+01
      5   0.518258D+01  0.268315D+01  0.308063D+01 -0.289100D+01  0.451107D+01
      6   0.617077D+01  0.257390D+01  0.507911D+01 -0.399670D+01 -0.612931D+01
               146           147           148           149           150 
      1   0.447951D+01 -0.388377D+01  0.633862D+01 -0.230474D+02  0.142777D+02
      2  -0.510382D+01  0.182509D+01 -0.735804D+01  0.262412D+02 -0.109303D+02
      3   0.624312D+00  0.205868D+01  0.101942D+01 -0.319379D+01 -0.334742D+01
      4   0.910649D+01 -0.570433D+01  0.875146D+01 -0.128266D+02  0.657741D+01
      5  -0.392507D+01  0.459789D+01 -0.377908D+01  0.340857D+01 -0.332030D+01
      6   0.618777D+01 -0.562861D+01  0.701772D+01 -0.196634D+02  0.151468D+02
               151           152           153           154           155 
      1  -0.477452D+01  0.141936D+02 -0.119986D+02  0.310673D+01 -0.336200D+01
      2   0.453073D+01 -0.132143D+02  0.692697D+01  0.630534D+01  0.120909D+02
      3   0.243783D+00 -0.979305D+00  0.507167D+01 -0.941208D+01 -0.872890D+01
      4  -0.648226D+01  0.897691D+01 -0.658902D+01  0.152463D+02  0.153513D+02
      5   0.381918D+01 -0.341206D+01  0.466133D+01 -0.577438D+01 -0.378900D+01
      6  -0.578048D+01  0.138478D+02 -0.132180D+02 -0.176969D+01 -0.963230D+00
               156           157           158           159           160 
      1  -0.112555D+01 -0.250606D+01 -0.167242D+02  0.356134D+01  0.312049D+01
      2  -0.622523D+00  0.120218D+02  0.319490D+02 -0.530213D+01 -0.375114D+01
      3   0.174808D+01 -0.951574D+01 -0.152248D+02  0.174080D+01  0.630659D+00
      4  -0.304929D+01  0.168272D+02  0.239561D+02 -0.528471D+01 -0.329463D+01
      5   0.345760D+01 -0.608656D+01 -0.738791D+01  0.510888D+01  0.263575D+01
      6   0.286630D+01 -0.405011D+01 -0.751611D+01  0.630165D+01  0.294893D+01
               161           162           163           164           165 
      1   0.682079D+01 -0.280738D+01  0.124830D+02  0.772803D+01  0.155480D+00
      2  -0.980441D+01  0.339891D+01 -0.244029D+01 -0.231982D+01 -0.534236D+00
      3   0.298362D+01 -0.591536D+00 -0.100427D+02 -0.540821D+01  0.378756D+00
      4  -0.479002D+01  0.391591D+01  0.157463D+02  0.170130D+02  0.664438D+01
      5   0.390914D+01 -0.236977D+01  0.447785D+01  0.773594D+01  0.800554D+01
      6   0.524039D+01 -0.350142D+01  0.560260D+01  0.482113D+01  0.276663D+01
               166           167           168           169           170 
      1   0.121812D+02 -0.731157D+01 -0.285496D+01 -0.726320D+01 -0.126894D+01
      2  -0.144425D+01  0.176984D+02  0.318185D+01  0.254141D+01  0.244206D+00
      3  -0.107370D+02 -0.103868D+02 -0.326895D+00  0.472179D+01  0.102474D+01
      4   0.246659D+02  0.498055D+02  0.178648D+02  0.549448D+01  0.760724D+01
      5   0.120990D+02  0.174467D+02  0.117902D+02  0.759455D+01  0.823764D+01
      6   0.945273D+01  0.225734D+02  0.128033D+02  0.348253D+01  0.889049D+01
               171           172           173           174           175 
      1  -0.227293D+01  0.433465D+01 -0.394494D+01  0.629511D+01 -0.119022D+02
      2  -0.591685D+00 -0.718588D+01  0.267625D+01 -0.549841D+01  0.945133D+01
      3   0.286462D+01  0.285124D+01  0.126869D+01 -0.796697D+00  0.245084D+01
      4   0.875656D+01 -0.521690D+01  0.458694D+01 -0.553625D+00  0.660184D+01
      5   0.103258D+02  0.991333D+01 -0.165885D+01  0.134608D+02 -0.695384D+01
      6   0.606625D+01 -0.226249D+01  0.995700D+00 -0.326418D-01  0.277016D+01
               176           177           178           179           180 
      1  -0.150363D+01  0.528694D+01  0.423810D+01  0.250039D+01 -0.173852D+02
      2  -0.202983D+01  0.630589D+01 -0.104802D+02  0.331730D+01 -0.231548D+02
      3   0.353346D+01 -0.115928D+02  0.624213D+01 -0.581769D+01  0.405401D+02
      4  -0.358116D+01  0.971978D+01 -0.148161D+01  0.710943D+01 -0.780094D+01
      5   0.996312D+01 -0.172161D+02  0.212161D+02 -0.779846D+01  0.526585D+02
      6  -0.316000D+01  0.705429D+01 -0.894043D+00  0.580021D+01 -0.225686D+01
               181           182           183           184           185 
      1   0.117859D+03  0.116868D+02  0.370099D+02  0.159750D+02  0.142273D+02
      2  -0.630438D+02 -0.706999D+01 -0.207391D+02 -0.838430D+01 -0.583270D+01
      3  -0.548149D+02 -0.461679D+01 -0.162708D+02 -0.759072D+01 -0.839459D+01
      4   0.105109D+02  0.133031D+02  0.155280D+01  0.196163D+02  0.892131D+00
      5   0.429980D+02  0.228804D+01  0.259880D+02  0.236328D+01  0.708331D+01
      6   0.125007D+01  0.125850D+01  0.912229D+00  0.295487D+01  0.113409D+01
               186           187           188           189           190 
      1   0.252499D+01  0.435912D+02  0.162014D+01  0.258795D+02 -0.300138D+00
      2  -0.125277D+01 -0.258638D+02 -0.144072D+01 -0.182198D+02  0.173656D+01
      3  -0.127222D+01 -0.177274D+02 -0.179418D+00 -0.765967D+01 -0.143642D+01
      4   0.691441D+01  0.458721D+00  0.534951D+01  0.594841D+01 -0.934442D+01
      5   0.662614D+01  0.329416D+02  0.666068D+01  0.241953D+02  0.532581D+01
      6   0.292322D+01  0.819462D+00  0.215383D+01  0.810746D+00 -0.292591D+01
               191           192           193           194           195 
      1  -0.960281D+01  0.552854D+01 -0.641141D+01 -0.803108D+01  0.778962D+01
      2   0.445735D+01 -0.328151D+01  0.131369D+01  0.148295D+02 -0.104136D+02
      3   0.514546D+01 -0.224704D+01  0.509772D+01 -0.679837D+01  0.262395D+01
      4   0.779716D+01 -0.284372D+01  0.998002D+01 -0.241547D+02  0.175556D+02
      5  -0.162236D+01  0.538084D+01 -0.294504D+01  0.178834D+02 -0.181174D+02
      6  -0.235265D-01 -0.505164D+00  0.157253D+01 -0.139045D+02  0.147950D+02
               196           197           198           199           200 
      1   0.722046D+01  0.928773D+01 -0.110696D+02 -0.398931D+02 -0.118097D+02
      2  -0.258677D+01 -0.129463D+02  0.549112D+01  0.217434D+02  0.116257D+02
      3  -0.463369D+01  0.365859D+01  0.557852D+01  0.181497D+02  0.183944D+00
      4  -0.827839D+01  0.272786D+02 -0.252325D+02  0.107611D+02 -0.722223D+01
      5   0.808378D+01 -0.251866D+02  0.416910D+02 -0.780984D+01 -0.120335D+01
      6  -0.319987D+01  0.176981D+02 -0.251734D+02  0.765743D+01  0.322737D+01
               201           202           203           204           205 
      1  -0.154977D+02 -0.763367D+01 -0.102493D+02 -0.288415D+01 -0.170149D+02
      2   0.761704D+01  0.696501D+01  0.869437D+01  0.336718D+01  0.797544D+01
      3   0.788070D+01  0.668658D+00  0.155498D+01 -0.483027D+00  0.903942D+01
      4   0.344972D+01  0.463475D-01 -0.167424D+01 -0.727390D+00  0.530050D+01
      5  -0.640630D+01 -0.436655D-01 -0.191102D+01 -0.429250D+01 -0.307386D+01
      6   0.648197D+01  0.239731D+01  0.260599D+01  0.502669D+01  0.451829D+01
               206           207           208           209           210 
      1  -0.535484D+01 -0.136024D+02  0.541583D+02 -0.242409D+02 -0.201492D+02
      2   0.525964D+01  0.678045D+01 -0.194292D+02  0.268892D+01  0.884537D+01
      3   0.952032D-01  0.682192D+01 -0.347290D+02  0.215519D+02  0.113038D+02
      4  -0.484198D+01 -0.382814D+01 -0.470254D+02  0.374867D+02  0.174224D+02
      5  -0.723817D+01 -0.604762D+01 -0.266007D+02  0.129391D+02  0.189215D+02
      6   0.656543D+01  0.530518D+01  0.113804D+02 -0.687960D+01 -0.810891D+01
               211           212           213           214           215 
      1  -0.176289D+02  0.147313D+02  0.527730D+01 -0.253000D+02  0.977637D+01
      2   0.968970D-01  0.268898D+01  0.923390D+00  0.103894D+02  0.261537D+00
      3   0.175320D+02 -0.174203D+02 -0.620069D+01  0.149106D+02 -0.100379D+02
      4   0.325750D+02 -0.307906D+02 -0.130948D+02  0.249914D+02 -0.216859D+02
      5   0.109233D+02 -0.117098D+02 -0.107483D+02  0.241843D+02 -0.182294D+02
      6  -0.675978D+01  0.758263D+01  0.786990D+01 -0.105605D+02  0.108697D+02
               216           217           218           219           220 
      1   0.127374D+02 -0.438524D+02 -0.297790D+01 -0.201563D+02 -0.472339D+01
      2  -0.524263D+01  0.157177D+02  0.135738D+01  0.216982D+01  0.267400D+01
      3  -0.749481D+01  0.281347D+02  0.162052D+01  0.179865D+02  0.204939D+01
      4  -0.212012D+02 -0.750822D+01 -0.508290D+01  0.637669D+00 -0.915579D+00
      5  -0.203584D+02  0.251344D+01  0.289961D+01 -0.947482D+01  0.172027D+01
      6   0.958327D+01  0.777591D+00  0.336827D+01 -0.167173D+01  0.202131D+01
               221           222           223           224           225 
      1  -0.574921D+01 -0.133205D+01 -0.189538D+02  0.552240D+00 -0.190553D+02
      2   0.393316D+01 -0.148189D+01  0.420736D+01 -0.146017D+01 -0.115794D+01
      3   0.181605D+01  0.281394D+01  0.147465D+02  0.907926D+00  0.202132D+02
      4   0.423960D+01 -0.272521D+01 -0.100121D+01 -0.269576D+01 -0.289443D+01
      5  -0.183685D+01 -0.531938D+01 -0.654392D+00 -0.126543D+01 -0.124369D+02
      6  -0.599181D+00  0.303055D+01 -0.129042D+01  0.261863D+01 -0.109036D+01
               226           227           228           229           230 
      1   0.894849D+01  0.117726D+02 -0.579736D+01  0.146113D+02  0.200632D+01
      2  -0.261085D+01 -0.268245D+01  0.344879D+01 -0.246617D+01  0.216127D+02
      3  -0.633765D+01 -0.909015D+01  0.234857D+01 -0.121451D+02 -0.236191D+02
      4   0.147198D+02  0.174681D+02 -0.113196D+01  0.249875D+02  0.757350D+02
      5  -0.724453D+01 -0.248686D+01  0.596998D+01 -0.667738D+01 -0.958363D+01
      6  -0.236297D+01 -0.265688D+01  0.929162D+00 -0.530531D+01 -0.186207D+02
               231           232           233           234           235 
      1   0.647222D+00 -0.123596D+01  0.268020D+01  0.237500D+00  0.659677D+02
      2   0.118918D+01  0.155648D+01  0.891783D+00  0.113787D+01 -0.444887D+02
      3  -0.183640D+01 -0.320520D+00 -0.357198D+01 -0.137537D+01 -0.214790D+02
      4  -0.776149D+01  0.118350D+01  0.354241D+01  0.677004D+01 -0.710639D+01
      5   0.109341D+02  0.486411D+01  0.646981D+01  0.221156D+00 -0.538966D+02
      6   0.736153D+01  0.108422D+01  0.569905D+01 -0.106698D+01  0.237890D+01
               236           237           238           239           240 
      1  -0.960465D+01 -0.347353D+02 -0.209490D+02  0.110621D+02  0.945210D+01
      2   0.678962D+01  0.272581D+02  0.144929D+02 -0.573044D+01 -0.966865D+01
      3   0.281503D+01  0.747720D+01  0.645618D+01 -0.533170D+01  0.216549D+00
      4   0.133169D+02  0.280123D+01  0.149348D+02 -0.520711D+01 -0.841738D+01
      5   0.664371D+01  0.400600D+02  0.181939D+02 -0.106292D+02 -0.187979D+02
      6  -0.486629D+01 -0.935641D+00 -0.568338D+01  0.308759D+01  0.436897D+01
               241           242           243           244           245 
      1  -0.325629D+02  0.334249D+01  0.227209D+02  0.206532D+01 -0.729594D+01
      2   0.276708D+02 -0.432454D+01 -0.262564D+02 -0.544099D+00  0.355974D+01
      3   0.489212D+01  0.982046D+00  0.353549D+01 -0.152122D+01  0.373620D+01
      4   0.349782D+01 -0.581879D+01 -0.621185D+01 -0.117801D+02  0.909771D+01
      5   0.434175D+02 -0.845412D+01 -0.439167D+02  0.568407D+01 -0.492736D+01
      6  -0.153121D+01  0.368791D+01  0.187554D+01 -0.640649D+01  0.304573D+01
               246           247           248           249           250 
      1   0.109707D+01 -0.940056D+01 -0.443278D+01  0.400823D+01 -0.210038D+00
      2  -0.127791D+01  0.374023D+01  0.682518D+01 -0.900943D+00 -0.183909D+01
      3   0.180836D+00  0.566033D+01 -0.239240D+01 -0.310728D+01  0.204912D+01
      4  -0.444869D+01  0.131834D+02 -0.289320D+02  0.128505D+02 -0.551557D+01
      5   0.746657D+01 -0.645448D+01  0.131751D+02 -0.124031D+02  0.112847D+02
      6  -0.185459D+01  0.510211D+01 -0.158605D+02  0.992262D+01 -0.349366D+01
               251           252           253           254           255 
      1   0.230372D+01 -0.289344D+01 -0.300904D+02 -0.104126D+02 -0.427210D+02
      2   0.976870D+00 -0.351387D+01  0.341816D+02  0.100114D+02  0.127348D+02
      3  -0.328059D+01  0.640730D+01 -0.409119D+01  0.401227D+00  0.299862D+02
      4   0.132168D+02 -0.101954D+02 -0.165979D+02  0.230621D+01 -0.126933D+02
      5  -0.974021D+01  0.151699D+02 -0.524224D+02 -0.830278D+01 -0.142777D+02
      6   0.101457D+02 -0.833327D+01 -0.110596D+02  0.120537D+01  0.270384D+00
               256           257           258           259           260 
      1  -0.263374D+01  0.304461D+01 -0.133806D+02 -0.369084D+02 -0.121729D+02
      2   0.352007D+01 -0.197435D+02  0.869217D+01  0.101796D+02  0.136546D+02
      3  -0.886329D+00  0.166989D+02  0.468839D+01  0.267288D+02 -0.148167D+01
      4   0.109558D+02 -0.704334D+01  0.180778D+02 -0.605087D+01  0.166390D+02
      5   0.196631D+01  0.220935D+02  0.100335D+02 -0.358184D+01  0.350359D+01
      6   0.892528D+01  0.333942D+01  0.163437D+02  0.511758D+01  0.121534D+02
               261           262           263           264           265 
      1   0.109554D+02  0.330593D+02 -0.791780D+01 -0.208312D+02  0.371894D+01
      2   0.452726D+01 -0.216545D+02  0.442442D+01  0.152374D+02 -0.463428D+01
      3  -0.154826D+02 -0.114048D+02  0.349338D+01  0.559378D+01  0.915340D+00
      4   0.883966D+01 -0.150357D+02  0.991058D+01  0.963355D+01  0.498288D+01
      5   0.235826D+01 -0.300495D+02  0.825104D+01  0.263741D+02 -0.442515D+01
      6   0.322794D+01  0.558625D+01 -0.281314D+01 -0.491564D+01 -0.162249D+01
               266           267           268           269           270 
      1   0.180603D+01 -0.381733D+01 -0.265511D+02  0.605051D+01  0.191277D+02
      2  -0.630960D+00  0.454590D+01  0.212614D+02 -0.425222D+01 -0.211868D+02
      3  -0.117507D+01 -0.728574D+00  0.528972D+01 -0.179829D+01  0.205913D+01
      4  -0.527743D+01 -0.377417D+01  0.140783D+02 -0.120622D+02 -0.143264D+02
      5  -0.408981D+01  0.411594D+01  0.371083D+02 -0.123206D+02 -0.435009D+02
      6   0.187064D+01  0.246730D+01 -0.676957D+01  0.516558D+01  0.913133D+01
               271           272           273           274           275 
      1   0.681217D+00  0.774773D+01  0.327319D+01  0.742551D+01 -0.170409D+02
      2   0.177755D+01 -0.690116D+01  0.207718D+00 -0.443689D+01  0.347146D+02
      3  -0.245877D+01 -0.846569D+00 -0.348090D+01 -0.298863D+01 -0.176738D+02
      4   0.445298D+01  0.871373D+00  0.815173D+00  0.584289D+01  0.282857D+02
      5   0.226434D+01  0.314035D+01  0.132985D+01  0.468852D+01 -0.575838D+01
      6   0.209741D+01 -0.189657D+01 -0.109329D+01  0.563022D+00  0.141445D+02
               276           277           278           279           280 
      1   0.183719D-01 -0.117150D+01  0.428833D+01 -0.210051D+01  0.660850D+02
      2  -0.627771D+01  0.205604D+01 -0.101844D+02  0.523175D+01 -0.463823D+02
      3   0.625934D+01 -0.884534D+00  0.589602D+01 -0.313124D+01 -0.197027D+02
      4  -0.243492D+01 -0.173482D+01 -0.975780D+01  0.154294D+01  0.264458D+02
      5   0.695061D+01 -0.107394D+01  0.286300D+01 -0.828590D+01  0.624074D+02
      6   0.360017D+01 -0.119842D+01 -0.139641D+01 -0.278461D+01  0.116006D+02
               281           282           283           284           285 
      1   0.660099D+01  0.221966D+02  0.886941D+00  0.603213D+01  0.169350D+01
      2  -0.351718D+01 -0.218784D+02  0.164025D+01 -0.141944D+01 -0.851365D-02
      3  -0.308381D+01 -0.318179D+00 -0.252719D+01 -0.461269D+01 -0.168498D+01
      4   0.146493D+02  0.130999D+02  0.127444D+02  0.643218D+01  0.483732D+01
      5   0.116012D+02  0.377765D+02  0.310048D+01  0.658142D+01  0.105784D+01
      6   0.853591D+01  0.889607D+01  0.691981D+01  0.306042D+01  0.377208D+01
               286           287           288           289           290 
      1   0.161957D+02  0.224065D+01  0.873377D+01 -0.149590D+02  0.480035D+01
      2  -0.182461D+02 -0.298086D+01 -0.165717D+02 -0.200511D+01 -0.273369D+01
      3   0.205044D+01  0.740216D+00  0.783790D+01  0.169641D+02 -0.206666D+01
      4   0.943276D+01  0.423045D+01  0.644969D+01 -0.333496D+01 -0.258465D+01
      5   0.328354D+02  0.593121D+01  0.272264D+02  0.614873D+00 -0.100726D+01
      6   0.673676D+01  0.384814D+01  0.678827D+01  0.361654D+01 -0.563293D+01
               291           292           293           294           295 
      1   0.263391D+02 -0.922671D+00 -0.678288D+01  0.164892D+01  0.177919D+02
      2   0.171744D+01 -0.562588D+00  0.247918D+01  0.280454D+01 -0.104186D+01
      3  -0.280565D+02  0.148526D+01  0.430371D+01 -0.445347D+01 -0.167501D+02
      4   0.311961D+01 -0.160405D+01 -0.571840D+00  0.103378D+01  0.436007D+01
      5  -0.207907D+01 -0.118743D+01 -0.135241D+01 -0.357538D+01  0.406190D+01
      6  -0.699418D+01 -0.360093D+01  0.719581D+00  0.508067D+01 -0.276236D+01
               296           297 
      1  -0.350199D+01 -0.353753D+02
      2   0.239340D+00 -0.121587D+02
      3   0.326265D+01  0.475340D+02
      4   0.172847D+01 -0.263750D+01
      5   0.207225D+01  0.168775D+02
      6   0.646733D+01  0.114740D+02

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.688865D+00      0.175092D+01      0.584044D+01
   x         -0.450098D+00     -0.114403D+01     -0.381609D+01
   y         -0.500508D+00     -0.127216D+01     -0.424348D+01
   z          0.146421D+00      0.372165D+00      0.124141D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.158480D+03      0.234843D+02      0.261298D+02
   aniso      0.671844D+02      0.995570D+01      0.110772D+02
   xx         0.200171D+03      0.296622D+02      0.330037D+02
   yx         0.559380D+01      0.828915D+00      0.922293D+00
   yy         0.144713D+03      0.214442D+02      0.238599D+02
   zx         0.708171D+01      0.104940D+01      0.116762D+01
   zy        -0.833210D+01     -0.123469D+01     -0.137378D+01
   zz         0.130555D+03      0.193463D+02      0.215257D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.165763D+03      0.245636D+02      0.273307D+02
   aniso      0.698131D+02      0.103452D+02      0.115106D+02
   xx         0.208890D+03      0.309543D+02      0.344413D+02
   yx         0.614314D+01      0.910320D+00      0.101287D+01
   yy         0.151633D+03      0.224697D+02      0.250009D+02
   zx         0.769430D+01      0.114018D+01      0.126862D+01
   zy        -0.880309D+01     -0.130448D+01     -0.145143D+01
   zz         0.136766D+03      0.202667D+02      0.225497D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6         -2.56020495         -0.08751731         -0.43312935
     6         -2.33456434         -0.21033613          2.19206974
     6         -0.46529858         -0.30452154         -1.99364444
     6          1.93626738         -0.66447071         -0.97198986
     6          2.17193891         -0.82340903          1.64158988
     6          0.06988398         -0.59650242          3.19661397
     6         -4.60442520          0.09901188          3.88033753
     6         -5.18909199          2.85112759          4.67842099
     6         -5.84057765          4.53180352          2.42251151
     6         -3.06139518          4.01200298          6.24793572
     6          4.24908743         -0.85373927         -2.66465964
     6          3.88190916         -3.02729133         -4.49662185
     8          3.03565785         -2.86308256         -6.60185448
     8          4.57357438         -5.26144119         -3.46633066
     1         -4.40985207          0.17209048         -1.26993407
     1         -0.70079862         -0.22179664         -4.02439720
     1          4.01722326         -1.13624541          2.47120205
     1          0.30215328         -0.73432517          5.22540443
     1         -4.33460030         -1.02514809          5.59200429
     1         -6.26930349         -0.66251348          2.92399482
     1         -6.86880239          2.73619165          5.88316847
     1         -7.39671904          3.74432295          1.31846573
     1         -4.22007614          4.75091680          1.16494084
     1         -6.40288546          6.41294903          3.05627939
     1         -1.33795859          4.21260091          5.13205527
     1         -2.61761014          2.85009163          7.89538121
     1         -3.59546318          5.88746097          6.92170756
     1          5.85959699         -1.33286771         -1.47095916
     6          4.77744333          1.61103491         -4.08015094
     1          4.19204233         -6.56161297         -4.70148150
     1          3.21839007          2.07611468         -5.33919721
     1          6.48918729          1.45617621         -5.21831910
     1          5.01580310          3.14861423         -2.73052678

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.688865D+00      0.175092D+01      0.584044D+01
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.688865D+00      0.175092D+01      0.584044D+01

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.158480D+03      0.234843D+02      0.261298D+02
   aniso      0.671844D+02      0.995570D+01      0.110772D+02
   xx         0.169371D+03      0.250982D+02      0.279255D+02
   yx        -0.170667D+02     -0.252902D+01     -0.281391D+01
   yy         0.132401D+03      0.196199D+02      0.218300D+02
   zx        -0.240454D+02     -0.356316D+01     -0.396455D+01
   zy         0.109752D+02      0.162636D+01      0.180957D+01
   zz         0.173667D+03      0.257348D+02      0.286338D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.165763D+03      0.245636D+02      0.273307D+02
   aniso      0.698131D+02      0.103452D+02      0.115106D+02
   xx         0.177224D+03      0.262619D+02      0.292203D+02
   yx        -0.174827D+02     -0.259066D+01     -0.288250D+01
   yy         0.138245D+03      0.204858D+02      0.227935D+02
   zx        -0.249378D+02     -0.369540D+01     -0.411169D+01
   zy         0.111297D+02      0.164925D+01      0.183504D+01
   zz         0.181820D+03      0.269429D+02      0.299781D+02

 ----------------------------------------------------------------------
 1\1\GINC-CPN-K11-30-01\Freq\RM11\Gen\C13H18O2\PIERPA\08-Sep-2021\0\\#P
  M11/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA Gues
 s=Read Geom=Check CPHF=RdFreq\\ROA calculations.\\0,1\C,-0.70991,0.670
 807,-0.967581\C,-1.514787,-0.421985,-0.641507\C,0.592878,0.771936,-0.5
 02207\C,1.137615,-0.225982,0.304676\C,0.347678,-1.327177,0.619024\C,-0
 .957714,-1.421755,0.154368\C,-2.940864,-0.508394,-1.117499\C,-3.987455
 ,0.128199,-0.171742\C,-3.779028,1.632708,-0.004548\C,-4.041131,-0.5692
 11,1.186803\C,2.555065,-0.110902,0.841195\C,3.512909,0.020089,-0.32751
 2\O,3.916643,1.053908,-0.793769\O,3.856696,-1.186888,-0.831471\H,-1.10
 8539,1.453325,-1.601421\H,1.197146,1.626236,-0.780243\H,0.758326,-2.12
 193,1.230081\H,-1.550996,-2.291094,0.409882\H,-3.207271,-1.558295,-1.2
 639\H,-3.023252,-0.023303,-2.093508\H,-4.956106,-0.021345,-0.6612\H,-3
 .767687,2.144305,-0.969553\H,-2.833997,1.845956,0.498551\H,-4.580691,2
 .067606,0.595584\H,-3.105962,-0.437299,1.734311\H,-4.217867,-1.641741,
 1.078812\H,-4.845765,-0.157244,1.799012\H,2.793783,-1.046687,1.348092\
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      THE ONE-EYED VIEW OF OUR UNIVERSE SAYS YOU MUST NOT LOOK
      FAR AFIELD FOR PROBLEMS.  SUCH PROBLEMS MAY NEVER ARRIVE. 
      INSTEAD, TEND TO THE WOLF WITHIN YOUR FENCES.
      THE PACKS RANGING OUTSIDE MAY NOT EVEN EXIST.

                              -- THE AZHAR BOOK SHAMRA I:4
                                 CHILDREN OF DUNE, BY FRANK HERBERT
 Job cpu time:       0 days 20 hours 40 minutes 17.1 seconds.
 Elapsed time:       0 days  2 hours 36 minutes  4.1 seconds.
 File lengths (MBytes):  RWF=    604 Int=      0 D2E=      0 Chk=     24 Scr=      2
 Normal termination of Gaussian 16 at Wed Sep  8 15:05:47 2021.
